2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione

Systemtic Name: 2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione Openeye Name: 2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione CAS Name: 2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenylbenzo[f]isoindole-4,9-dione IUPAC Name: 2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenylbenzo[f]isoindole-4,9-dione Traditional Name: 2-(4-butylphenyl)-3-(4-ethylphenyl)-1-phenyl-benz[f]isoindole-4,9-quinone Formula: C36H31NO2 MolecularWeight: 509.63684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C3C(=C2C4=CC=C(C=C4)CC)C(=O)C5=CC=CC=C5C3=O)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C3C(=C2C4=CC=C(C=C4)CC)C(=O)C5=CC=CC=C5C3=O)C6=CC=CC=C6

InChI

InChI=1S/C36H31NO2/c1-3-5-11-25-18-22-28(23-19-25)37-33(26-12-7-6-8-13-26)31-32(34(37)27-20-16-24(4-2)17-21-27)36(39)30-15-10-9-14-29(30)35(31)38/h6-10,12-23H,3-5,11H2,1-2H3