5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,3-dimethyl-2-imidazol-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphine Formula: C40H42N12+4 MolecularWeight: 690.84188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7C)C)C8=[N+](C=CN8C)C)C9=[N+](C=CN9C)C)N3)C

Isomeric SMILES

CN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7C)C)C8=[N+](C=CN8C)C)C9=[N+](C=CN9C)C)N3)C

InChI

InChI=1S/C40H41N12/c1-45-17-18-46(2)37(45)33-25-9-11-27(41-25)34(38-47(3)19-20-48(38)4)29-13-15-31(43-29)36(40-51(7)23-24-52(40)8)32-16-14-30(44-32)35(28-12-10-26(33)42-28)39-49(5)21-22-50(39)6/h9-24H,1-8H3,(H,41,42,43,44)/q+3/p+1