2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-1,4-benzoquinone CAS Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)-p-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(=O)C=CC7=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(=O)C=CC7=O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

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