4-[(10Z,14Z,19Z)-10,15,20-tris(4-methylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(4-methylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(p-tolyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(4-methylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(4-methylphenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(p-tolyl)-22,23-dihydro-21H-porphin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C47H36N4O MolecularWeight: 672.81494

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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(=O)C=C5)C6=CC=C(N6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C(N4)C(=C5C=CC(=O)C=C5)C6=CC=C(N6)/C(=C\7/C=CC2=N7)/C8=CC=C(C=C8)C)\C9=CC=C(C=C9)C)/N3

InChI

InChI=1S/C47H36N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48,50-51H,1-3H3/b44-36-,45-38-,46-39-