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

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-3-pyridin-1-iumyl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-diphenyl-21,22-dihydroporphine Formula: C44H34N6+2 MolecularWeight: 646.78096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H34N6/c1-49-25-9-15-31(27-49)43-37-21-17-33(45-37)41(29-11-5-3-6-12-29)35-19-23-39(47-35)44(32-16-10-26-50(2)28-32)40-24-20-36(48-40)42(30-13-7-4-8-14-30)34-18-22-38(43)46-34/h3-28,45-46H,1-2H3/q+2