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

Systemtic Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(1,3-dimethyl-2-imidazol-1-iumyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C43H33N6+ MolecularWeight: 633.76232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)C

Isomeric SMILES

CN1C=C[N+](=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)C

InChI

InChI=1S/C43H32N6/c1-48-26-27-49(2)43(48)42-37-24-22-35(46-37)40(29-14-8-4-9-15-29)33-20-18-31(44-33)39(28-12-6-3-7-13-28)32-19-21-34(45-32)41(30-16-10-5-11-17-30)36-23-25-38(42)47-36/h3-27H,1-2H3,(H,44,45,46,47)/p+1