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

Systemtic Name: 5,10,20-tris(4-methylphenyl)-15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methylphenyl)-15-(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methylphenyl)-15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 15-(1-methylpyridin-1-ium-4-yl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C47H38N5+ MolecularWeight: 672.83812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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=C(C=C8)C)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CC1=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=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C47H37N5/c1-29-5-11-32(12-6-29)44-36-17-19-38(48-36)45(33-13-7-30(2)8-14-33)40-21-23-42(50-40)47(35-25-27-52(4)28-26-35)43-24-22-41(51-43)46(39-20-18-37(44)49-39)34-15-9-31(3)10-16-34/h5-28H,1-4H3,(H,48,49,50,51)/p+1