(4,4-dimethyl-3-oxidanylidene-hexyl) 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carboxylate

Systemtic Name: (4,4-dimethyl-3-oxidanylidene-hexyl) 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carboxylate Openeye Name: (4,4-dimethyl-3-oxo-hexyl) 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carboxylate CAS Name: 9-[4-[4-(9-carbazolyl)phenyl]phenyl]-3-carbazolecarboxylic acid (4,4-dimethyl-3-oxohexyl) ester IUPAC Name: (4,4-dimethyl-3-oxohexyl) 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carboxylate Traditional Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carboxylic acid (3-keto-4,4-dimethyl-hexyl) ester Formula: C45H38N2O3 MolecularWeight: 654.79482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CCOC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86

Isomeric SMILES

CCC(C)(C)C(=O)CCOC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86

InChI

InChI=1S/C45H38N2O3/c1-4-45(2,3)43(48)27-28-50-44(49)32-21-26-42-38(29-32)37-13-7-10-16-41(37)47(42)34-24-19-31(20-25-34)30-17-22-33(23-18-30)46-39-14-8-5-11-35(39)36-12-6-9-15-40(36)46/h5-26,29H,4,27-28H2,1-3H3