5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-4-pyridin-1-iumyl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(4-phenylphenyl)-21,22-dihydroporphine Formula: C56H42N6+2 MolecularWeight: 798.97288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C8=CC=CC=C8)C=C5)C9=CC=[N+](C=C9)C)C=C4)C1=CC=C(C=C1)C1=CC=CC=C1)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C8=CC=CC=C8)C=C5)C9=CC=[N+](C=C9)C)C=C4)C1=CC=C(C=C1)C1=CC=CC=C1)N3

InChI

InChI=1S/C56H41N6/c1-61-33-29-43(30-34-61)55-49-25-21-45(57-49)53(41-17-13-39(14-18-41)37-9-5-3-6-10-37)47-23-27-51(59-47)56(44-31-35-62(2)36-32-44)52-28-24-48(60-52)54(46-22-26-50(55)58-46)42-19-15-40(16-20-42)38-11-7-4-8-12-38/h3-36H,1-2H3,(H,57,58,59,60)/q+1/p+1