Tris[4,4'-bis(t-butyl)-2,2'-bipyridine]ruthenium(II) hexafluorophosphate

Catalog Number	ACM75777876-3
CAS	75777-87-6
Structure
Synonyms	Ru(dtbpy)3(PF6)2
Molecular Weight	1196.2
Molecular Formula	C54H72F12N6RuP2
Canonical SMILES	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+3]
InChI	InChI=1S/3C18H24N2.2F6P.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-7(2,3,4,5)6;/h3*7-12H,1-6H3;/q;2*-1;+3
InChI Key	RNKRIYNRQYHSLF-UHFFFAOYSA-N
Melting Point	>300 °C
Purity	95%
Appearance	Red powder
Complexity	341
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	1196.414549
Heavy Atom Count	75
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1196.414549
Rotatable Bond Count	9
Topological Polar Surface Area	77.3 Ų