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

Systemtic Name: 5-(4-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5-(4-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5-(4-methoxyphenyl)-10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5-(4-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C45H38N7O+3 MolecularWeight: 692.82952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H37N7O/c1-50-23-17-30(18-24-50)43-36-11-9-34(46-36)42(29-5-7-33(53-4)8-6-29)35-10-12-37(47-35)44(31-19-25-51(2)26-20-31)39-14-16-41(49-39)45(40-15-13-38(43)48-40)32-21-27-52(3)28-22-32/h5-28H,1-4H3,(H,46,47,48,49)/q+2/p+1