10,15,20-tris(1-methylpyridin-1-ium-2-yl)-5-phenyl-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-2-yl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-2-yl)-5-phenyl-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-2-pyridin-1-iumyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-2-yl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-2-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=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)C9=CC=CC=C9)N3

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)C9=CC=CC=C9)N3

InChI

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