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

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-pyridin-4-yl-21,22-dihydroporphyrin trihexafluorophosphate Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(4-pyridyl)-21,22-dihydroporphyrin trihexafluorophosphate CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-pyridin-4-yl-21,22-dihydroporphyrin trihexafluorophosphate IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-pyridin-4-yl-21,22-dihydroporphyrin trihexafluorophosphate Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(4-pyridyl)-21,22-dihydroporphine trihexafluorophosphate Formula: C43H35F18N8P3 MolecularWeight: 1098.684141

Click to see the large picture

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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C43H34N8.3F6P/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;3*1-7(2,3,4,5)6/h4-27H,1-3H3,(H,45,46,47,48);;;/q+2;3*-1/p+1