[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(2-methylbutan-2-yl)benzoate

Systemtic Name: [9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(2-methylbutan-2-yl)benzoate Openeye Name: [9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(1,1-dimethylpropyl)benzoate CAS Name: 4-(2-methylbutan-2-yl)benzoic acid [9-[4-[4-(9-carbazolyl)phenyl]phenyl]-3-carbazolyl]methyl ester IUPAC Name: [9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl 4-(2-methylbutan-2-yl)benzoate Traditional Name: 4-tert-amylbenzoic acid [9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]methyl ester Formula: C49H40N2O2 MolecularWeight: 688.8541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97

InChI

InChI=1S/C49H40N2O2/c1-4-49(2,3)37-24-18-36(19-25-37)48(52)53-32-33-17-30-47-43(31-33)42-13-7-10-16-46(42)51(47)39-28-22-35(23-29-39)34-20-26-38(27-21-34)50-44-14-8-5-11-40(44)41-12-6-9-15-45(41)50/h5-31H,4,32H2,1-3H3