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

Systemtic Name: 5,10,20-tris(1-methylpyridin-1-ium-3-yl)-15-phenyl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(1-methylpyridin-1-ium-3-yl)-15-phenyl-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(1-methyl-3-pyridin-1-iumyl)-15-phenyl-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(1-methylpyridin-1-ium-3-yl)-15-phenyl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(1-methylpyridin-1-ium-3-yl)-15-phenyl-21,22-dihydroporphine Formula: C44H36N7+3 MolecularWeight: 662.80354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=C[N+](=CC=C8)C)C9=C[N+](=CC=C9)C)N3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=C[N+](=CC=C8)C)C9=C[N+](=CC=C9)C)N3

InChI

InChI=1S/C44H36N7/c1-49-23-7-12-30(26-49)42-35-17-15-33(45-35)41(29-10-5-4-6-11-29)34-16-18-36(46-34)43(31-13-8-24-50(2)27-31)38-20-22-40(48-38)44(39-21-19-37(42)47-39)32-14-9-25-51(3)28-32/h4-28,47-48H,1-3H3/q+3