8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-(4-phenylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C28H23N2O+ MolecularWeight: 403.49502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6)C(=O)C1

InChI

InChI=1S/C28H22N2O/c31-25-10-4-8-22-26-21-9-5-17-29-23(21)15-16-24(26)30-28(27(22)25)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-3,5-7,9,11-17,28,30H,4,8,10H2/p+1