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

Systemtic Name: 2-(4-bromophenyl)-3-(4-butylphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione Openeye Name: 2-(4-bromophenyl)-3-(4-butylphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione CAS Name: 2-(4-bromophenyl)-3-(4-butylphenyl)-1-phenylbenzo[f]isoindole-4,9-dione IUPAC Name: 2-(4-bromophenyl)-3-(4-butylphenyl)-1-phenylbenzo[f]isoindole-4,9-dione Traditional Name: 2-(4-bromophenyl)-3-(4-butylphenyl)-1-phenyl-benz[f]isoindole-4,9-quinone Formula: C34H26BrNO2 MolecularWeight: 560.47974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=C(C=C4)Br)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=C(C=C4)Br)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C34H26BrNO2/c1-2-3-9-22-14-16-24(17-15-22)32-30-29(33(37)27-12-7-8-13-28(27)34(30)38)31(23-10-5-4-6-11-23)36(32)26-20-18-25(35)19-21-26/h4-8,10-21H,2-3,9H2,1H3