2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)isoindole-4,7-dione

Systemtic Name: 2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)isoindole-4,7-dione Openeye Name: 2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)isoindole-4,7-dione CAS Name: 2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)isoindole-4,7-dione IUPAC Name: 2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)isoindole-4,7-dione Traditional Name: 2-methyl-1-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)isoindole-4,7-quinone Formula: C53H35N5O2 MolecularWeight: 773.8773

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=O)C=CC(=O)C2=C1C3=C4C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC(=C(C(=C3)N4)C8=CC=CC=C8)N7)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

CN1C=C2C(=O)C=CC(=O)C2=C1C3=C4C(=C5C=CC(=N5)C(=C6C=CC(=N6)C(=C7C=CC(=C(C(=C3)N4)C8=CC=CC=C8)N7)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C53H35N5O2/c1-58-31-37-45(59)28-29-46(60)51(37)53(58)36-30-44-49(34-18-10-4-11-19-34)42-25-24-40(55-42)47(32-14-6-2-7-15-32)38-22-23-39(54-38)48(33-16-8-3-9-17-33)41-26-27-43(56-41)50(52(36)57-44)35-20-12-5-13-21-35/h2-31,55,57H,1H3