![(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate, 99%](https://resource.alfa-chemistry.com/structure/870987-63-6.gif)
Synonyms
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;ruthenium(3+);hexafluorophosphate;870987-63-6;
IUPAC Name
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;ruthenium(3+);hexafluorophosphate;
Molecular Weight
1030.78g/mol
Molecular Formula
C42H34F16N4PRu;
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.[Ru+3];
InChI
InChI=1S/C18H24N2.2C12H5F5N.F6P.Ru/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
ZUCAVAHGAUORTF-UHFFFAOYSA-N;
Complexity
760
Covalently-Bonded Unit Count
5
Exact Mass
1031.131g/mol
H-Bond Acceptor
23
Heavy Atom Count
64
Monoisotopic Mass
1031.131g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
51.6A^2
