Organofluorine / Alfa Chemistry
(Ir[dF(CF3)ppy]2(dtbpy))PF6

(Ir[dF(CF3)ppy]2(dtbpy))PF6

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(Ir[dF(CF3)ppy]2(dtbpy))PF6
Catalog OFC870987636-1
CAS 870987-63-6
Category Fluorinated Metal Complexes
Purity 99%
MDL Number MFCD27952556
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine; iridium(3+); hexafluorophosphate
InChI InChI=1S/C18H24N2.2C12H5F5N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-2,4-6H;;/q;3*-1;+3
InChI Key XFAXYKCDJPDUTA-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
EC Number 811-445-2
Molecular Formula C42H34F16IrN4P
Molecular Weight 1121.91
Melting Point >300 °C
Appearance Yellow crystalline solid or powder
Exact Mass 1122.189 g/mol
Monoisotopic Mass 1122.189 g/mol

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