5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphine Formula: C52H46N4O8 MolecularWeight: 854.94364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H46N4O8/c1-57-41-21-9-29(25-45(41)61-5)49-33-13-15-35(53-33)50(30-10-22-42(58-2)46(26-30)62-6)37-17-19-39(55-37)52(32-12-24-44(60-4)48(28-32)64-8)40-20-18-38(56-40)51(36-16-14-34(49)54-36)31-11-23-43(59-3)47(27-31)63-7/h9-28,53-54H,1-8H3