5,10,15-tris(1,3-dimethylimidazol-1-ium-2-yl)-20-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin

Systemtic Name: 5,10,15-tris(1,3-dimethylimidazol-1-ium-2-yl)-20-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1,3-dimethylimidazol-1-ium-2-yl)-20-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1,3-dimethyl-2-imidazol-1-iumyl)-20-(1,3-dimethyl-2-imidazolylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1,3-dimethylimidazol-1-ium-2-yl)-20-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin Traditional Name: 5-(1,3-dimethyl-4-imidazolin-2-ylidene)-10,15,20-tris(1,3-dimethylimidazol-1-ium-2-yl)-21H-porphine Formula: C40H41N12+3 MolecularWeight: 689.83394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=[N+](C=CN7C)C)C=C5)C8=[N+](C=CN8C)C)C=C4)C9=[N+](C=CN9C)C)C=C3)C

Isomeric SMILES

CN1C=CN(C1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=[N+](C=CN7C)C)C=C5)C8=[N+](C=CN8C)C)C=C4)C9=[N+](C=CN9C)C)C=C3)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/h9-24,41H,1-8H3/q+3