1-[3,6-bis(5-hexylthiophen-2-yl)carbazol-9-yl]-5,5-dimethyl-hexane-2,4-dione

Systemtic Name: 1-[3,6-bis(5-hexylthiophen-2-yl)carbazol-9-yl]-5,5-dimethyl-hexane-2,4-dione Openeye Name: 1-[3,6-bis(5-hexyl-2-thienyl)carbazol-9-yl]-5,5-dimethyl-hexane-2,4-dione CAS Name: 1-[3,6-bis(5-hexyl-2-thiophenyl)-9-carbazolyl]-5,5-dimethylhexane-2,4-dione IUPAC Name: 1-[3,6-bis(5-hexylthiophen-2-yl)carbazol-9-yl]-5,5-dimethylhexane-2,4-dione Traditional Name: 1-[3,6-bis(5-hexyl-2-thienyl)carbazol-9-yl]-5,5-dimethyl-hexane-2,4-dione Formula: C40H49NO2S2 MolecularWeight: 639.95256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=C(S5)CCCCCC)CC(=O)CC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCC1=CC=C(S1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=C(S5)CCCCCC)CC(=O)CC(=O)C(C)(C)C

InChI

InChI=1S/C40H49NO2S2/c1-6-8-10-12-14-31-18-22-37(44-31)28-16-20-35-33(24-28)34-25-29(38-23-19-32(45-38)15-13-11-9-7-2)17-21-36(34)41(35)27-30(42)26-39(43)40(3,4)5/h16-25H,6-15,26-27H2,1-5H3