5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphine Formula: C48H38N4O4 MolecularWeight: 734.83972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C9=CC(=CC=C9)OC)N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C9=CC(=CC=C9)OC)N3

InChI

InChI=1S/C48H38N4O4/c1-53-33-13-5-9-29(25-33)45-37-17-19-39(49-37)46(30-10-6-14-34(26-30)54-2)41-21-23-43(51-41)48(32-12-8-16-36(28-32)56-4)44-24-22-42(52-44)47(40-20-18-38(45)50-40)31-11-7-15-35(27-31)55-3/h5-28,49-50H,1-4H3