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

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(4-pyridyl)-21,22-dihydroporphine Formula: C43H35N8+3 MolecularWeight: 663.7916

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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=NC=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=NC=C9)N3

InChI

InChI=1S/C43H34N8/c1-49-22-14-29(15-23-49)41-34-6-4-32(45-34)40(28-12-20-44-21-13-28)33-5-7-35(46-33)42(30-16-24-50(2)25-17-30)37-9-11-39(48-37)43(38-10-8-36(41)47-38)31-18-26-51(3)27-19-31/h4-27H,1-3H3,(H,45,46,47,48)/q+2/p+1