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

Systemtic Name: 5,10,15,20-tetrakis(4-ethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-ethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-ethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-ethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(p-phenetyl)-21,22-dihydroporphine Formula: C52H46N4O4 MolecularWeight: 790.94604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC)C8=CC=C(C=C8)OCC)C9=CC=C(C=C9)OCC)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OCC)C8=CC=C(C=C8)OCC)C9=CC=C(C=C9)OCC)N3

InChI

InChI=1S/C52H46N4O4/c1-5-57-37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58-6-2)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60-8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59-7-3/h9-32,53-54H,5-8H2,1-4H3