5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetraphenyl-2-(trifluoromethyl)-21,22-dihydroporphine Formula: C45H29F3N4 MolecularWeight: 682.73377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H29F3N4/c46-45(47,48)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(50-37)40(28-13-5-1-6-14-28)33-21-22-34(49-33)41(29-15-7-2-8-16-29)36-25-26-38(51-36)43(44(32)52-39)31-19-11-4-12-20-31/h1-27,50,52H