5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-one

Systemtic Name: 5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-one Openeye Name: 5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-one CAS Name: 5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-one IUPAC Name: 5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin-2-one Traditional Name: 5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphin-2-one Formula: C44H30N4O MolecularWeight: 630.7352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=O)C(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)N4)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=O)C(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)N4)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H30N4O/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-27,45-46,48H