5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin

Systemtic Name: 5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin Openeye Name: 5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin CAS Name: 5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin IUPAC Name: 5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin Traditional Name: 5-(4-methoxyphenoxy)-10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphine Formula: C40H27F3N4O2 MolecularWeight: 652.66319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C(F)(F)F)C=C4)C8=CC=CC=C8)N3

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C(F)(F)F)C=C4)C8=CC=CC=C8)N3

InChI

InChI=1S/C40H27F3N4O2/c1-48-26-12-14-27(15-13-26)49-39-34-22-18-30(46-34)36(24-8-4-2-5-9-24)28-16-20-32(44-28)38(40(41,42)43)33-21-17-29(45-33)37(25-10-6-3-7-11-25)31-19-23-35(39)47-31/h2-23,46-47H,1H3