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

Systemtic Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis(1,3-dimethyl-2-imidazol-1-iumyl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphine Formula: C42H36N8+2 MolecularWeight: 652.78884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=[N+](C=CN8C)C)C=C4)C9=CC=CC=C9)N3)C

Isomeric SMILES

CN1C=C[N+](=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=[N+](C=CN8C)C)C=C4)C9=CC=CC=C9)N3)C

InChI

InChI=1S/C42H35N8/c1-47-23-24-48(2)41(47)39-33-19-15-29(43-33)37(27-11-7-5-8-12-27)31-17-21-35(45-31)40(42-49(3)25-26-50(42)4)36-22-18-32(46-36)38(28-13-9-6-10-14-28)30-16-20-34(39)44-30/h5-26H,1-4H3,(H,43,44,45,46)/q+1/p+1