2-{5,6-dichloro-2-[(20-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
Structure Info
- Chemspace ID
- CSSB06446554173 (In-Stock Building Blocks)
- IUPAC Name
- 2-{5,6-dichloro-2-[(20-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
- Mol formula
- C94H78Cl4N4O2S4
- Mol weight
- 1566 Da
- Catalog Number(s)
- 2253663-81-7, AA020JYZ, ACM2253663817, AG020K1R, AR020KQR, DQD66381, EC020M7J, OR1124514, ST020LIJ, TX020L7F
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 29.28
- Heavy atoms count
- 108
- Rotatable bond count
- 26
- Number of rings
- 15
- Carbon bond saturation, Fsp3
- 0.276
- Polar surface area (Å)
- 129
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of 2-{5,6-dichloro-2-[(20-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile (C94H78Cl4N4O2S4) - CSSB06446554173](/st/structure/200/1cc768a49fb9e77da5fc4ce2056695da/CCCCCCc1ccc%2528cc1%2529C1%2528c2cc3-c4sc5cc%2528C%253DC6C%2528%253DO%2529c7cc%2528Cl%2529c%2528Cl%2529cc7C6%253DC%2528C%2523N%2529C%2523N%2529sc5c4C%2528c3cc2-c2sc3cc%2528C%253DC4C%2528%253DO%2529c5cc%2528Cl%2529c%2528Cl%2529cc5C4%253DC%2528C%2523N%2529C%2523N%2529sc3c12%2529%2528c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1.png "C94H78Cl4N4O2S4")
- Zoom the structure
- CSSB06446554173
Items Overall 6 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angene International Limited | 10 days | China To: | 97 | 50 mg | 212.40 | |
| Angene International Limited | 10 days | China To: | 97 | 100 mg | 421.20 | |
Description: 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-dichloro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene; CAS: 2253663-81-7 | ||||||
| 1st Scientific CN | 14 days | China To: | 97 | 50 mg | 314.60 | |
| 1st Scientific CN | 14 days | China To: | 97 | 100 mg | 598.40 | |
Description: 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-dichloro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene; CAS: 2253663-81-7 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 90 | 50 mg | 357.50 | |
| Accel Scientific, S.L. | 20 days | China To: | 90 | 100 mg | 706.20 | |
Description: 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-dichloro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene; CAS: 2253663-81-7 | ||||||
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Substructure Analogs
![Chemical structure of 2-[(2Z)-5,6-dichloro-2-[(20-{[(2Z)-5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile - CSSB20785369756](/st/structure/200/8ed731d21d9b51e583eb0985f8b14c5d/CCCCCCC1%253DCC%253DC%2528C%253DC1%2529C1%2528C2%253DCC3%253DC%2528C%253DC2C2%253DC1C1%253DC%2528S2%2529C%253DC%2528S1%2529%255CC%253DC1%252FC%2528%253DO%2529C2%253DCC%2528Cl%2529%253DC%2528Cl%2529C%253DC2C1%253DC%2528C%2523N%2529C%2523N%2529C%2528C1%253DC3SC2%253DC1SC%2528%255CC%253DC1%252FC%2528%253DO%2529C3%253DCC%2528Cl%2529%253DC%2528Cl%2529C%253DC3C1%253DC%2528C%2523N%2529C%2523N%2529%253DC2%2529%2528C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 2-[(2Z)-2-[(20-{[(2E)-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile - CSSB06744596930](/st/structure/200/cffc58584e3e935377966977a6310ead/CCCCCCc1ccc%2528cc1%2529C1%2528c2cc3-c4sc5cc%2528%255CC%253DC6%252FC%2528%253DO%2529c7ccccc7C6%253DC%2528C%2523N%2529C%2523N%2529sc5c4C%2528c3cc2-c2sc3cc%2528%255CC%253DC4%255CC%2528%253DO%2529c5ccccc5C4%253DC%2528C%2523N%2529C%2523N%2529sc3c12%2529%2528c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1.png)
![Chemical structure of 2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile - CSSB03437843510](/st/structure/200/f2da333853a545a6b7874fd82e1132a1/CCCCCCC1%253DCC%253DC%2528C%253DC1%2529C1%2528C2%253DCC3%253DC%2528C%253DC2C2%253DC1C1%253DC%2528S2%2529C%253DC%2528S1%2529C%253DC1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DC%2528C%2523N%2529C%2523N%2529C%2528C1%253DC3SC2%253DC1SC%2528C%253DC1C%2528%253DO%2529C3%253DCC%253DCC%253DC3C1%253DC%2528C%2523N%2529C%2523N%2529%253DC2%2529%2528C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1.png)
![Chemical structure of 2-{2-[(20-{[(2E)-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile - CSSB02495327247](/st/structure/200/2b0b33d14103c92217f1ee5f6958faee/CCCCCCC1%253DCC%253DC%2528C%253DC1%2529C1%2528C2%253DCC3%253DC%2528C%253DC2C2%253DC1C1%253DC%2528S2%2529C%253DC%2528S1%2529C%253DC1C%2528%253DO%2529C2%253DCC%253DCC%253DC2C1%253DC%2528C%2523N%2529C%2523N%2529C%2528C1%253DC3SC2%253DC1SC%2528%255CC%253DC1%255CC%2528%253DO%2529C3%253DCC%253DCC%253DC3C1%253DC%2528C%2523N%2529C%2523N%2529%253DC2%2529%2528C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1.png)
![Chemical structure of 2-{2-[(20-{[1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1,3(13),4(11),6(10),7,14,16(23),18(22),19-nonaen-8-yl)methylidene]-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile - CSSB06256037603](/st/structure/200/bf58995980406b4f325da5a82e06f3cc/CCCCCCc1ccc%2528cc1%2529C1%2528c2cc3-c4sc5cc%2528C%253DC6C%2528%253DO%2529c7cc%2528F%2529c%2528F%2529cc7C6%253DC%2528C%2523N%2529C%2523N%2529sc5c4C%2528c3cc2-c2sc3cc%2528C%253DC4C%2528%253DO%2529c5cc%2528F%2529c%2528F%2529cc5C4%253DC%2528C%2523N%2529C%2523N%2529sc3c12%2529%2528c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1%2529c1ccc%2528CCCCCC%2529cc1.png)
![Chemical structure of 2-[(2E)-2-[(20-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile - CSSB02495327246](/st/structure/200/9449c3bb7132d02c223e470b6858053f/CCCCCCC1%253DCC%253DC%2528C%253DC1%2529C1%2528C2%253DCC3%253DC%2528C%253DC2C2%253DC1C1%253DC%2528S2%2529C%253DC%2528S1%2529%255CC%253DC1%255CC%2528%253DO%2529C2%253DCC%2528F%2529%253DC%2528F%2529C%253DC2C1%253DC%2528C%2523N%2529C%2523N%2529C%2528C1%253DC3SC2%253DC1SC%2528%255CC%253DC1%252FC%2528%253DO%2529C3%253DCC%2528F%2529%253DC%2528F%2529C%253DC3C1%253DC%2528C%2523N%2529C%2523N%2529%253DC2%2529%2528C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1.png)
![Chemical structure of 2-[(2E)-2-[(20-{[(2E)-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,3,16,16-tetrakis(4-hexylphenyl)-6,10,13,19,23,26-hexathiaoctacyclo[12.12.0.0²,¹².0⁴,¹¹.0⁵,⁹.0¹⁵,²⁵.0¹⁷,²⁴.0¹⁸,²²]hexacosa-1(14),2(12),4(11),5(9),7,15(25),17(24),18(22),20-nonaen-7-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile - CSSB21241738914](/st/structure/200/ea842569ab959d8b49b237cee01ccad7/CCCCCCC1%253DCC%253DC%2528C%253DC1%2529C1%2528C2%253DC%2528SC3%253DC2SC%2528%255CC%253DC2%255CC%2528%253DO%2529C4%253DCC%253DCC%253DC4C2%253DC%2528C%2523N%2529C%2523N%2529%253DC3%2529C2%253DC1C1%253DC%2528S2%2529C2%253DC%2528S1%2529C1%253DC%2528C3%253DC%2528S1%2529C%253DC%2528S3%2529%255CC%253DC1%255CC%2528%253DO%2529C3%253DCC%253DCC%253DC3C1%253DC%2528C%2523N%2529C%2523N%2529C2%2528C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1%2529C1%253DCC%253DC%2528CCCCCC%2529C%253DC1.png)
