[Ru (bpz) 3][PF6]2

CAT: 0926-FDA90756-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FDA90756-01Size:1 g

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CAS Number

80907-56-8

MDL Number

MFCD27952557

Smiles

C1=CN=C (C=N1) C2=NC=CN=C2.C1=CN=C (C=N1) C2=NC=CN=C2.C1=CN=C (C=N1) C2=NC=CN=C2.F[P-] (F) (F) (F) (F) F.F[P-] (F) (F) (F) (F) F.[Ru+2]

Molecular Formula

C24H18F12N12P2Ru

Molecular Weight

865.48 g/mol

Controlled

Chemical Information

Tris(2,2'-bipyrazine)ruthenium(II) hexafluorophosphate

CAS Number	80907-56-8
PubChem CID	15376884
IUPAC Name	tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);dihexafluorophosphate
Molecular Formula	C24H18F12N12P2Ru
Molecular Weight	865.5
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	3
Heavy Atom Count	51
Formal Charge	0
Complexity	186

SMILES

C1=CN=C(C=N1)C2=NC=CN=C2.C1=CN=C(C=N1)C2=NC=CN=C2.C1=CN=C(C=N1)C2=NC=CN=C2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/3C8H6N4.2F6P.Ru/c3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;2*1-7(2,3,4,5)6;/h3*1-6H;;;/q;;;2*-1;+2

InChIKey

RRBHRYNFGGGCST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80907-56-8

CID: 15376884

Formula: C24H18F12N12P2Ru

MW: 865.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	865.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	3
Exact Mass	866.010441
Monoisotopic Mass	866.010441
Topological Polar Surface Area	155 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	6
Compound Is Canonicalized	Yes