zinc 3,3-dimethyl-10-(4-methylphenyl)-5-phenyl-15-(2,4,6-trimethylphenyl)porphyrin-22,24-diid-2-one

Systemtic Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-phenyl-15-(2,4,6-trimethylphenyl)porphyrin-22,24-diid-2-one Openeye Name: zinc 3,3-dimethyl-5-phenyl-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)porphyrin-22,24-diid-2-one CAS Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-phenyl-15-(2,4,6-trimethylphenyl)-2-porphyrin-22,24-diidone IUPAC Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-phenyl-15-(2,4,6-trimethylphenyl)porphyrin-22,24-diid-2-one Traditional Name: zinc 15-mesityl-3,3-dimethyl-5-phenyl-10-(p-tolyl)porphine-22,24-diid-2-one Formula: C44H36N4OZn MolecularWeight: 702.19184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C(C5=O)(C)C)[N-]4)C8=C(C=C(C=C8C)C)C.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C(C5=O)(C)C)[N-]4)C8=C(C=C(C=C8C)C)C.[Zn+2]

InChI

InChI=1S/C44H37N4O.Zn/c1-25-12-14-30(15-13-25)39-32-18-20-34(46-32)40(29-10-8-7-9-11-29)42-44(5,6)43(49)37(48-42)24-31-16-17-35(45-31)41(36-21-19-33(39)47-36)38-27(3)22-26(2)23-28(38)4;/h7-24H,1-6H3,(H-,45,46,47,48,49);/q-1;+2/p-1