5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2,4,6-trimethoxyphenyl)-21,22-dihydroporphine Formula: C56H54N4O12 MolecularWeight: 975.04756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)OC)OC)C8=C(C=C(C=C8OC)OC)OC)C9=C(C=C(C=C9OC)OC)OC)N3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7OC)OC)OC)C8=C(C=C(C=C8OC)OC)OC)C9=C(C=C(C=C9OC)OC)OC)N3)OC

InChI

InChI=1S/C56H54N4O12/c1-61-29-21-41(65-5)53(42(22-29)66-6)49-33-13-15-35(57-33)50(54-43(67-7)23-30(62-2)24-44(54)68-8)37-17-19-39(59-37)52(56-47(71-11)27-32(64-4)28-48(56)72-12)40-20-18-38(60-40)51(36-16-14-34(49)58-36)55-45(69-9)25-31(63-3)26-46(55)70-10/h13-28,57-58H,1-12H3