5-iodanyl-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one

Systemtic Name: 5-iodanyl-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one Openeye Name: 5-iodo-3,3-dimethyl-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one CAS Name: 5-iodo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one IUPAC Name: 5-iodo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one Traditional Name: 5-iodo-15-mesityl-3,3-dimethyl-10-(p-tolyl)-23,24-dihydroporphin-2-one Formula: C38H33IN4O MolecularWeight: 688.59929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(C(=O)C(=N4)C=C5C=CC(=C(C6=CC=C2N6)C7=C(C=C(C=C7C)C)C)N5)(C)C)I

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(C(=O)C(=N4)C=C5C=CC(=C(C6=CC=C2N6)C7=C(C=C(C=C7C)C)C)N5)(C)C)I

InChI

InChI=1S/C38H33IN4O/c1-20-7-9-24(10-8-20)33-26-13-14-29(41-26)34(32-22(3)17-21(2)18-23(32)4)28-12-11-25(40-28)19-31-37(44)38(5,6)36(43-31)35(39)30-16-15-27(33)42-30/h7-19,40-41H,1-6H3