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

Systemtic Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-1,2-benzoquinone CAS Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)-o-benzoquinone Formula: C44H28N4O2 MolecularWeight: 644.71872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H28N4O2/c49-39-18-10-17-30(44(39)50)43-37-25-23-35(47-37)41(28-13-6-2-7-14-28)33-21-19-31(45-33)40(27-11-4-1-5-12-27)32-20-22-34(46-32)42(29-15-8-3-9-16-29)36-24-26-38(43)48-36/h1-26,45-46H