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
Structure Info
- Chemspace ID
- CSSB02495327247 (In-Stock Building Blocks)
- IUPAC Name
- 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
- Mol formula
- C94H82N4O2S4
- Mol weight
- 1428 Da
- Catalog Number(s)
- CS-0100823, F568929, HY-125830, T19386
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 26.86
- Heavy atoms count
- 104
- 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-{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 (C94H82N4O2S4) - 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 "C94H82N4O2S4")
- Zoom the structure
- CSSB02495327247
Items Overall 6 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| ChemScene CN | 5 days | China To: | 98 | 100 mg | 165.00 | |
| ChemScene CN | 5 days | China To: | 98 | 250 mg | 279.00 | |
| ChemScene CN | 5 days | China To: | 98 | 1 g | 753.00 | |
Description: ITIC; CAS: 1664293-06-4 | ||||||
| Fluorochem CN | 14 days | China To: | 98 | 100 mg | 206.00 | |
| Fluorochem CN | 14 days | China To: | 98 | 250 mg | 348.00 | |
| Fluorochem CN | 14 days | China To: | 98 | 1 g | 917.00 | |
Description: ITIC; Physical State: solid; Storage Conditions: ambient storage; Hazard Codes: H302, H315, H319, H335; GHS Pictograms: GHS07; CAS: 1664293-06-4 | ||||||
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