zinc 5-iodanyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-iodanyl-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-iodo-10,15,20-tris(p-tolyl)porphyrin-21,22-diide CAS Name: zinc 5-iodo-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-iodo-10,15,20-tris(4-methylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5-iodo-10,15,20-tris(p-tolyl)porphine-21,22-diide Formula: C41H29IN4Zn MolecularWeight: 770.00923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)I)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)I)[N-]3.[Zn+2]

InChI

InChI=1S/C41H29IN4.Zn/c1-24-4-10-27(11-5-24)38-30-16-18-32(43-30)39(28-12-6-25(2)7-13-28)34-20-22-36(45-34)41(42)37-23-21-35(46-37)40(33-19-17-31(38)44-33)29-14-8-26(3)9-15-29;/h4-23H,1-3H3;/q-2;+2