2-phenyl-4-[[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]methyl]cyclopent-2-en-1-one

Systemtic Name: 2-phenyl-4-[[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]methyl]cyclopent-2-en-1-one Openeye Name: 2-phenyl-4-[[10,15,20-tris(p-tolyl)-23,24-dihydroporphyrin-5-yl]methyl]cyclopent-2-en-1-one CAS Name: 2-phenyl-4-[[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]methyl]-1-cyclopent-2-enone IUPAC Name: 2-phenyl-4-[[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]methyl]cyclopent-2-en-1-one Traditional Name: 2-phenyl-4-[[10,15,20-tris(p-tolyl)-23,24-dihydroporphin-5-yl]methyl]cyclopent-2-en-1-one Formula: C53H42N4O MolecularWeight: 750.92678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC7CC(=O)C(=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC7CC(=O)C(=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C)N3

InChI

InChI=1S/C53H42N4O/c1-32-9-15-37(16-10-32)51-44-23-21-42(54-44)41(30-35-29-40(50(58)31-35)36-7-5-4-6-8-36)43-22-24-45(55-43)52(38-17-11-33(2)12-18-38)47-26-28-49(57-47)53(48-27-25-46(51)56-48)39-19-13-34(3)14-20-39/h4-29,35,56-57H,30-31H2,1-3H3