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
Structure Info
- Chemspace ID
- CSSB02495327246 (In-Stock Building Blocks)
- MFCD
- MFCD31692237
- IUPAC Name
- 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
- Mol formula
- C94H78F4N4O2S4
- Mol weight
- 1500 Da
- Catalog Number(s)
- AA01FL16, AG01FL3Y, AR01FLSY, AY06614, CS-0100824, EC01FN9Q, F567817, HY-125831, MS-32189, ST01FMKQ, T19385, TX01FM9M
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 27.43
- 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-[(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 (C94H78F4N4O2S4) - 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 "C94H78F4N4O2S4")
- Zoom the structure
- CSSB02495327246
Items Overall 25 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 3 days | United States To: | 97 | 5 mg | 37.40 | |
| 1st Scientific LLC | 3 days | United States To: | 97 | 10 mg | 60.50 | |
| 1st Scientific LLC | 3 days | United States To: | 97 | 25 mg | 94.60 | |
| 1st Scientific LLC | 3 days | United States To: | 97 | 50 mg | 122.10 | |
| 1st Scientific LLC | 3 days | United States To: | 97 | 100 mg | 205.70 | |
Description: ITIC-4F; CAS: 2097998-59-7 | ||||||
| A2B Chem | 12 days | United States To: | 97 | 5 mg | 52.90 | |
| A2B Chem | 12 days | United States To: | 97 | 10 mg | 85.10 | |
| A2B Chem | 12 days | United States To: | 97 | 25 mg | 134.55 | |
| A2B Chem | 12 days | United States To: | 97 | 50 mg | 174.80 | |
| A2B Chem | 12 days | United States To: | 97 | 100 mg | 294.40 | |
Description: ITIC-4F; CAS: 2097998-59-7 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 10 mg | 95.45 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 25 mg | 115.00 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 50 mg | 138.00 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 100 mg | 234.60 | |
| Aaron Chemicals LLC | 12 days | United States To: | 97 | 250 mg | 445.05 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 10 mg | 94.60 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 25 mg | 112.20 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 50 mg | 135.30 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 100 mg | 227.70 | |
| Accel Scientific, S.L. | 20 days | China To: | 97 | 250 mg | 429.00 | |
Description: ITIC-4F; CAS: 2097998-59-7 | ||||||
| 10X CHEM | TBD | United States To: | 97 | 5 mg | 37.40 | |
| 10X CHEM | TBD | United States To: | 97 | 10 mg | 60.50 | |
| 10X CHEM | TBD | United States To: | 97 | 25 mg | 94.60 | |
| 10X CHEM | TBD | United States To: | 97 | 50 mg | 123.20 | |
| 10X CHEM | TBD | United States To: | 97 | 100 mg | 206.80 | |
Description: ITIC-4F; CAS: 2097998-59-7 | ||||||
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