5-fluoranyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline; iridium

Systemtic Name: 5-fluoranyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline; iridium Openeye Name: 5-fluoro-1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline; iridium CAS Name: 5-fluoro-1-[4-(trifluoromethyl)-1-benzene-6-idyl]isoquinoline; iridium IUPAC Name: 5-fluoro-1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline; iridium Traditional Name: 5-fluoro-1-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline; iridium Formula: C48H24F12IrN3-3 MolecularWeight: 1062.922098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.[Ir]

Isomeric SMILES

C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.C1=CC2=C(C=CN=C2C3=CC=C(C=[C-]3)C(F)(F)F)C(=C1)F.[Ir]

InChI

InChI=1S/3C16H8F4N.Ir/c3*17-14-3-1-2-13-12(14)8-9-21-15(13)10-4-6-11(7-5-10)16(18,19)20;/h3*1-4,6-9H;/q3*-1;