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

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-phenyl-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-phenyl-21,22-dihydroporphine Formula: C44H36N7+3 MolecularWeight: 662.80354

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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=CC=C9)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=CC=C9)N3

InChI

InChI=1S/C44H35N7/c1-49-23-17-30(18-24-49)42-35-11-9-33(45-35)41(29-7-5-4-6-8-29)34-10-12-36(46-34)43(31-19-25-50(2)26-20-31)38-14-16-40(48-38)44(39-15-13-37(42)47-39)32-21-27-51(3)28-22-32/h4-28H,1-3H3,(H,45,46,47,48)/q+2/p+1