Bis(2,2'-bipyridine)-(5-isothiocyanato-phenanthroline)ruthenium bis(hexafluorophosphate)

Catalog Number	ACM288399075-1
CAS	288399-07-5
Structure
Synonyms	Ru(bpy)2(phen-ITC)2+
IUPAC Name	5-isothiocyanato-1,10-phenanthroline;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
Molecular Weight	940.55
Molecular Formula	C33H23F12N7P2RuS
InChI	InChI=1S/C13H7N3S.2C10H8N2.2F6P.Ru/c17-8-16-11-7-9-3-1-5-14-12(9)13-10(11)4-2-6-15-13;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-7H;2*1-8H;;;/q;;;2*-1;+2
InChI Key	VUUXKQLUOQLWPZ-UHFFFAOYSA-N
Complexity	509
Exact Mass	941.006267 g/mol
Formal Charge	0
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N=C=S.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
Monoisotopic Mass	941.006267 g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	122Ų