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

Systemtic Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(1-methyl-4-pyridin-1-iumyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C44H32N5+ MolecularWeight: 630.75838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=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

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=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

InChI

InChI=1S/C44H31N5/c1-49-27-25-32(26-28-49)44-39-23-21-37(47-39)42(30-13-7-3-8-14-30)35-19-17-33(45-35)41(29-11-5-2-6-12-29)34-18-20-36(46-34)43(31-15-9-4-10-16-31)38-22-24-40(44)48-38/h2-28H,1H3,(H,45,46,47,48)/p+1