15-(2,3-dimethoxy-4-methyl-phenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(2,3-dimethoxy-4-methyl-phenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(2,3-dimethoxy-4-methyl-phenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(2,3-dimethoxy-4-methylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(2,3-dimethoxy-4-methylphenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(2,3-dimethoxy-4-methyl-phenyl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C47H36N4O2 MolecularWeight: 688.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)OC)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9)OC)OC

InChI

InChI=1S/C47H36N4O2/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39/h4-28,48-49H,1-3H3