5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine sulfide

Systemtic Name: 5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine sulfide Openeye Name: 5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine sulfide CAS Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine sulfide IUPAC Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine sulfide Traditional Name: (3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-yl)amine sulfide Formula: C40H36N6S MolecularWeight: 632.81904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[S-2]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[S-2]

InChI

InChI=1S/2C20H17N3.S/c2*1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2*2-12,22H,21H2,1H3;/q;;-2/p+2