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

Systemtic Name: 5-(1-methylpyridin-1-ium-3-yl)-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 5-(1-methylpyridin-1-ium-3-yl)-10,15,20-triphenyl-21,22-dihydroporphyrin CAS Name: 5-(1-methyl-3-pyridin-1-iumyl)-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-(1-methylpyridin-1-ium-3-yl)-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 5-(1-methylpyridin-1-ium-3-yl)-10,15,20-triphenyl-21,22-dihydroporphine Formula: C44H32N5+ MolecularWeight: 630.75838

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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=CC=CC=C8)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=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H32N5/c1-49-27-11-18-32(28-49)44-39-25-23-37(47-39)42(30-14-7-3-8-15-30)35-21-19-33(45-35)41(29-12-5-2-6-13-29)34-20-22-36(46-34)43(31-16-9-4-10-17-31)38-24-26-40(44)48-38/h2-28,47-48H,1H3/q+1