zinc 5,10,15-triheptyl-20-pyridin-4-yl-porphyrin-22,24-diide

Systemtic Name: zinc 5,10,15-triheptyl-20-pyridin-4-yl-porphyrin-22,24-diide Openeye Name: zinc 5,10,15-triheptyl-20-(4-pyridyl)porphyrin-22,24-diide CAS Name: zinc 5,10,15-triheptyl-20-pyridin-4-ylporphyrin-22,24-diide IUPAC Name: zinc 5,10,15-triheptyl-20-pyridin-4-ylporphyrin-22,24-diide Traditional Name: zinc 5,10,15-triheptyl-20-(4-pyridyl)porphine-22,24-diide Formula: C46H57N5Zn MolecularWeight: 745.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCCCCC)CCCCCCC)C=C3)C6=CC=NC=C6)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCCCCC)CCCCCCC)C=C3)C6=CC=NC=C6)[N-]2.[Zn+2]

InChI

InChI=1S/C46H57N5.Zn/c1-4-7-10-13-16-19-35-38-22-24-40(48-38)36(20-17-14-11-8-5-2)42-26-28-44(50-42)46(34-30-32-47-33-31-34)45-29-27-43(51-45)37(21-18-15-12-9-6-3)41-25-23-39(35)49-41;/h22-33H,4-21H2,1-3H3;/q-2;+2