CAS 1889344-13-1 appears in our catalog under these names: ITIC-Th, 98%, Poly({9,9-dioctylfluorenyl-2,7-diyl}-co-{1,4-(2,5-dimethoxy)benzene}) end capped with dimethylphenyl, ITIC-Th, ≥98%, ≥98%. Offered by: AmBeed, Lumtec, Chemat. Available pack sizes: 50mg, 100mg, On request, 10mg.
2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexylthiophen-2-yl)-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-oxoinden-1-ylidene]propanedinitrile (CAS 1889344-13-1) is a chemical compound with the molecular formula C86H74N4O2S8 and a molecular weight of 1452.1 g/mol. IUPAC name: 2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexylthiophen-2-yl)-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-oxoinden-1-ylidene]propanedinitrile. InChIKey: IBMVRGMZLQWAJY-SLZAGEDMSA-N.
| Molecular formula | C86H74N4O2S8 |
|---|---|
| Molecular weight | 1452.1 g/mol |
| IUPAC name | 2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(5-hexylthiophen-2-yl)-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-oxoinden-1-ylidene]propanedinitrile |
| InChIKey | IBMVRGMZLQWAJY-SLZAGEDMSA-N |
| SMILES | CCCCCCC1=CC=C(S1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)/C=C\7/C(=C(C#N)C#N)C8=CC=CC=C8C7=O)C(C9=C4SC1=C9SC(=C1)/C=C\1/C(=C(C#N)C#N)C2=CC=CC=C2C1=O)(C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC)C1=CC=C(S1)CCCCCC |
Computed by PubChem (NCBI)