1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium

Systemtic Name: 1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium Openeye Name: 1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium CAS Name: 1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium IUPAC Name: 1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium Traditional Name: 1-methyl-2,4-diphenyl-5,6,7,12-tetrahydrobenzo[b][1,10]phenanthrolin-1-ium Formula: C29H25N2+ MolecularWeight: 401.5222

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=C1C3=C(CC2)CC4=CC=CC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=C(C=C(C2=C1C3=C(CC2)CC4=CC=CC=C4N3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H25N2/c1-31-27(21-12-6-3-7-13-21)19-25(20-10-4-2-5-11-20)24-17-16-23-18-22-14-8-9-15-26(22)30-28(23)29(24)31/h2-15,19,30H,16-18H2,1H3/q+1