10,15-bis(1-methylpyridin-1-ium-4-yl)-5,20-diphenyl-21,22-dihydroporphyrin; nickel(2+)

Systemtic Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5,20-diphenyl-21,22-dihydroporphyrin; nickel(2+) Openeye Name: nickelous 10,15-bis(1-methylpyridin-1-ium-4-yl)-5,20-diphenyl-21,22-dihydroporphyrin CAS Name: 10,15-bis(1-methyl-4-pyridin-1-iumyl)-5,20-diphenyl-21,22-dihydroporphyrin; nickel(2+) IUPAC Name: 10,15-bis(1-methylpyridin-1-ium-4-yl)-5,20-diphenyl-21,22-dihydroporphyrin; nickel(2+) Traditional Name: nickelous 10,15-bis(1-methylpyridin-1-ium-4-yl)-5,20-diphenyl-21,22-dihydroporphine Formula: C44H34N6Ni+4 MolecularWeight: 705.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=CC=C8)N4)C9=CC=CC=C9.[Ni+2]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=CC=C8)N4)C9=CC=CC=C9.[Ni+2]

InChI

InChI=1S/C44H33N6.Ni/c1-49-25-21-31(22-26-49)43-37-17-15-35(46-37)41(29-9-5-3-6-10-29)33-13-14-34(45-33)42(30-11-7-4-8-12-30)36-16-18-38(47-36)44(40-20-19-39(43)48-40)32-23-27-50(2)28-24-32;/h3-28H,1-2H3,(H,45,46,47,48);/q+1;+2/p+1