12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphyrin-5-carbaldehyde

Systemtic Name: 12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphyrin-5-carbaldehyde Openeye Name: 12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphyrin-5-carbaldehyde CAS Name: 12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphyrin-5-carboxaldehyde IUPAC Name: 12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphyrin-5-carbaldehyde Traditional Name: 12,12-dimethyl-20-phenyl-22,24-dihydro-13H-porphine-5-carbaldehyde Formula: C29H24N4O MolecularWeight: 444.52706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=CC=C6)C=O)C

Isomeric SMILES

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=CC=C6)C=O)C

InChI

InChI=1S/C29H24N4O/c1-29(2)16-21-14-19-9-11-25(31-19)28(18-6-4-3-5-7-18)26-13-12-24(33-26)22(17-34)23-10-8-20(30-23)15-27(29)32-21/h3-15,17,30-31H,16H2,1-2H3