nickel(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide Openeye Name: nickelous 5,10,15,20-tetrakis(4-pyridyl)porphyrin-22,23-diide CAS Name: nickel(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide IUPAC Name: nickel(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,23-diide Traditional Name: nickelous 5,10,15,20-tetrakis(4-pyridyl)porphine-22,23-diide Formula: C40H24N8Ni MolecularWeight: 675.36556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.[Ni+2]

Isomeric SMILES

C1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9.[Ni+2]

InChI

InChI=1S/C40H24N8.Ni/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2