3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-1,2-benzoquinone CAS Name: 3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-methyl-6-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)-o-benzoquinone Formula: C45H30N4O2 MolecularWeight: 658.7453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

CC1=CC=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C45H30N4O2/c1-27-17-18-31(45(51)44(27)50)43-38-25-23-36(48-38)41(29-13-7-3-8-14-29)34-21-19-32(46-34)40(28-11-5-2-6-12-28)33-20-22-35(47-33)42(30-15-9-4-10-16-30)37-24-26-39(43)49-37/h2-26,46-47H,1H3