dimethyl 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)pyrrole-3,4-dicarboxylate CAS Name: 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)pyrrole-3,4-dicarboxylate Traditional Name: 1-methyl-2-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C53H39N5O4 MolecularWeight: 809.90786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=C(C(=C1C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C53H39N5O4/c1-58-31-37(52(59)61-2)49(53(60)62-3)51(58)36-30-44-47(34-20-12-6-13-21-34)42-27-26-40(55-42)45(32-16-8-4-9-17-32)38-24-25-39(54-38)46(33-18-10-5-11-19-33)41-28-29-43(56-41)48(50(36)57-44)35-22-14-7-15-23-35/h4-31,55,57H,1-3H3