2,17,18,20-tetrakis[(4-methoxyphenyl)methyl]-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis[(4-methoxyphenyl)methyl]-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis[(4-methoxyphenyl)methyl]-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis[(4-methoxyphenyl)methyl]-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis[(4-methoxyphenyl)methyl]-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(p-anisyl)-21,22-dihydroporphine Formula: C52H46N4O4 MolecularWeight: 790.94604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)CC7=CC=C(C=C7)OC)CC8=CC=C(C=C8)OC)CC9=CC=C(C=C9)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)CC7=CC=C(C=C7)OC)CC8=CC=C(C=C8)OC)CC9=CC=C(C=C9)OC

InChI

InChI=1S/C52H46N4O4/c1-57-43-17-5-33(6-18-43)25-37-29-42-31-40-14-13-38(53-40)30-39-15-16-41(54-39)32-50-47(26-34-7-19-44(58-2)20-8-34)48(27-35-9-21-45(59-3)22-10-35)52(56-50)49(51(37)55-42)28-36-11-23-46(60-4)24-12-36/h5-24,29-32,53,55H,25-28H2,1-4H3