zinc 5,15-diphenyl-10,20-di(tridecan-7-yl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-diphenyl-10,20-di(tridecan-7-yl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis(1-hexylheptyl)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: zinc 5,15-diphenyl-10,20-di(tridecan-7-yl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-diphenyl-10,20-di(tridecan-7-yl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis(1-hexylheptyl)-10,20-diphenyl-porphine-21,22-diide Formula: C58H72N4Zn MolecularWeight: 890.62808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C(CCCCCC)CCCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C(CCCCCC)CCCCCC)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]

InChI

InChI=1S/C58H72N4.Zn/c1-5-9-13-19-27-43(28-20-14-10-6-2)55-47-35-39-51(59-47)57(45-31-23-17-24-32-45)53-41-37-49(61-53)56(44(29-21-15-11-7-3)30-22-16-12-8-4)50-38-42-54(62-50)58(46-33-25-18-26-34-46)52-40-36-48(55)60-52;/h17-18,23-26,31-44H,5-16,19-22,27-30H2,1-4H3;/q-2;+2