5,10,15,20-tetrakis(1,3-dimethylimidazol-1-ium-4-yl)-21,22-dihydroporphyrin

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H42N12/c1-45-17-33(49(5)21-45)37-25-9-11-27(41-25)38(34-18-46(2)22-50(34)6)29-13-15-31(43-29)40(36-20-48(4)24-52(36)8)32-16-14-30(44-32)39(28-12-10-26(37)42-28)35-19-47(3)23-51(35)7/h9-24,41-42H,1-8H3/q+4