6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one

Systemtic Name: 6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Openeye Name: 6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one CAS Name: 6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]-7-benzo[e]perimidinone IUPAC Name: 6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Traditional Name: 6-(4-butylphenoxy)-2-[4-(4-octylphenyl)phenyl]benzo[e]perimidin-7-one Formula: C45H44N2O2 MolecularWeight: 644.84306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=C(C=C4)OC6=CC=C(C=C6)CCCC)C(=O)C7=CC=CC=C7C5=N3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C5C(=C(C=C4)OC6=CC=C(C=C6)CCCC)C(=O)C7=CC=CC=C7C5=N3

InChI

InChI=1S/C45H44N2O2/c1-3-5-7-8-9-10-14-32-17-21-33(22-18-32)34-23-25-35(26-24-34)45-46-39-29-30-40(49-36-27-19-31(20-28-36)13-6-4-2)42-41(39)43(47-45)37-15-11-12-16-38(37)44(42)48/h11-12,15-30H,3-10,13-14H2,1-2H3