copper 10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide-5-carbaldehyde

Systemtic Name: copper 10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide-5-carbaldehyde Openeye Name: copper 10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide-5-carbaldehyde CAS Name: copper 10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,24-diidecarboxaldehyde IUPAC Name: copper 10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide-5-carbaldehyde Traditional Name: cupric 10,20-dimesitylporphine-22,24-diide-5-carbaldehyde Formula: C39H32CuN4O MolecularWeight: 636.24358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=O)C7=C(C=C(C=C7C)C)C)C=C4)[N-]3)C.[Cu+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=O)C7=C(C=C(C=C7C)C)C)C=C4)[N-]3)C.[Cu+2]

InChI

InChI=1S/C39H33N4O.Cu/c1-21-15-23(3)36(24(4)16-21)38-32-9-7-27(40-32)19-28-8-10-33(41-28)39(37-25(5)17-22(2)18-26(37)6)35-14-12-31(43-35)29(20-44)30-11-13-34(38)42-30;/h7-20H,1-6H3,(H-,40,41,42,43,44);/q-1;+2/p-1