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
Structure Info
- Chemspace ID
- CSSB21241738914 (In-Stock Building Blocks)
- IUPAC Name
- 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
- Mol formula
- C94H80N4O2S6
- Mol weight
- 1490 Da
- Catalog Number(s)
- A1156232, ACIOCP603, ACM2244414535, ALCM-OE-2244414535, BD01104237, H84358, OR1168587, Y5245504, Y6316386
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 27.62
- Heavy atoms count
- 106
- Rotatable bond count
- 26
- Number of rings
- 16
- 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-[(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 (C94H80N4O2S6) - 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 "C94H80N4O2S6")
- Zoom the structure
- CSSB21241738914
Items Overall 20 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 25 mg | 95.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 50 mg | 161.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 100 mg | 274.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 250 mg | 492.00 | |
| BLD PHARMATECH LTD CN | 7 days | China To: | 98 | 1 g | 1,329.00 | |
Description: Name:2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrothieno[2′′,3′′:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2′′′,3′′′:4′′,5′′]thieno[2′′,3′′:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]; Hazard statement: 6.1; CAS: 2244414-53-5 | ||||||
| AiFChem CN | 10 days | China To: | 99 | 25 mg | 88.00 | |
| AiFChem CN | 10 days | China To: | 99 | 50 mg | 149.00 | |
| AiFChem CN | 10 days | China To: | 99 | 100 mg | 253.00 | |
| AiFChem CN | 10 days | China To: | 99 | 250 mg | 455.00 | |
| AiFChem CN | 10 days | China To: | 99 | 1 g | 1,227.00 | |
Description: 2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrothieno[2′′,3′′:4′,5′]thieno[3′,2′:4,5]cyclopenta[1,2-b]thieno[2′′′,3′′′:4′′,5′′]thieno[2′′,3′′:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3-d]thiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]; Hazard statement: H301; CAS: 2244414-53-5 | ||||||
| Ambeed CN | 12 days | China To: | 98 | 25 mg | 85.50 | |
| Ambeed CN | 12 days | China To: | 98 | 50 mg | 144.90 | |
| Ambeed CN | 12 days | China To: | 98 | 100 mg | 246.60 | |
| Ambeed CN | 12 days | China To: | 98 | 250 mg | 442.80 | |
| Ambeed CN | 12 days | China To: | 98 | 1 g | 1,196.10 | |
Description: Name: 6TIC; Hazard statement: 6.1; CAS: 2244414-53-5 | ||||||
| eNovation CN | 20 days | China To: | 99 | 25 mg | 97.75 | |
| eNovation CN | 20 days | China To: | 99 | 50 mg | 138.00 | |
| eNovation CN | 20 days | China To: | 99 | 100 mg | 207.00 | |
| eNovation CN | 20 days | China To: | 99 | 250 mg | 350.75 | |
| eNovation CN | 20 days | China To: | 99 | 1 g | 948.75 | |
Description: 2,2-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrothieno[2,3:4,5]thieno[3,2:4,5]cyclopenta[1,2-b]thieno[2,3:4,5]thieno[2,3:3,4]cyclopenta[1,2:4,5]thieno[2,3-d]thiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]; CAS: 2244414-53-5 | ||||||
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