bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate

C26H20F12N6P2RuS3 — CID 139174010

IUPACbis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(Sc2nccs2)n1
InChIInChI=1S/2C10H8N2.C6H4N2S3.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)11-6-8-2-4-10-6;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H;;;/q;;;2*-1;+2
InChIKeyACFBNORBKFCXFP-UHFFFAOYSA-N
MW903.68 g/mol
LogP13.80
Rot. Bonds4

About bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate

bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate (PubChem CID 139174010) has the molecular formula C26H20F12N6P2RuS3 and a molecular weight of 903.68 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate
PubChem CID139174010
Molecular FormulaC26H20F12N6P2RuS3
Molecular Weight903.68 g/mol
Exact Mass903.92
IUPAC Namebis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(Sc2nccs2)n1
InChIInChI=1S/2C10H8N2.C6H4N2S3.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)11-6-8-2-4-10-6;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H;;;/q;;;2*-1;+2
InChIKeyACFBNORBKFCXFP-UHFFFAOYSA-N
XLogP13.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.68
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-ylsulfanyl-1,3-thiazole
CID 15637338
2-phenylsulfanyl-1,3-thiazole
CID 606073
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CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate (CID 139174010) is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(Sc2nccs2)n1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
The InChIKey is ACFBNORBKFCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H4N2S3.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-9-5(7-1)11-6-8-2-4-10-6;2*1-7(2,3,4,5)6;/h2*1-8H;1-4H;;;/q;;;2*-1;+2.
What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate?
bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate has a molecular weight of 903.68 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-(1,3-thiazol-2-ylsulfanyl)-1,3-thiazole;dihexafluorophosphate is sourced from PubChem (CID 139174010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).