2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-(2-methoxy-3,5-dimethylphenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-(2-methoxy-3,5-dimethylphenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-(2-methoxy-3,5-dimethyl-phenyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C53H40N4O MolecularWeight: 748.9109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=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)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=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)OC)C

InChI

InChI=1S/C53H40N4O/c1-33-30-34(2)53(58-3)40(31-33)39-32-47-50(37-20-12-6-13-21-37)45-27-26-43(55-45)48(35-16-8-4-9-17-35)41-24-25-42(54-41)49(36-18-10-5-11-19-36)44-28-29-46(56-44)51(52(39)57-47)38-22-14-7-15-23-38/h4-32,55,57H,1-3H3