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

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-2-pyridin-1-iumyl)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-2-yl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-2-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=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H33N6/c1-49-27-11-9-17-39(49)43-35-23-19-31(45-35)41(29-13-5-3-6-14-29)33-21-25-37(47-33)44(40-18-10-12-28-50(40)2)38-26-22-34(48-38)42(30-15-7-4-8-16-30)32-20-24-36(43)46-32/h3-28H,1-2H3,(H,45,46,47,48)/q+1/p+1