5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2,3-dione

Systemtic Name: 5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2,3-dione Openeye Name: 5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2,3-dione CAS Name: 5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2,3-dione IUPAC Name: 5,10,15,20-tetraphenyl-22,23-dihydroporphyrin-2,3-dione Traditional Name: 5,10,15,20-tetraphenyl-22,23-dihydroporphine-2,3-quinone 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(=O)C(=O)C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)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(=O)C(=O)C(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

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