2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)

C22H17BF6N4O8PtS2 — CID 139155845

IUPAC2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OB(O)c1ccncc1.[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C5H6BNO2.2CHF3O3S.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;8-6(9)5-1-3-7-4-2-5;2*2-1(3,4)8(5,6)7;/h1-11H;1-4,8-9H;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyHARAJPOWMCJDEG-UHFFFAOYSA-L
MW849.41 g/mol
LogP2.07
Rot. Bonds3

About 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)

2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate) (PubChem CID 139155845) has the molecular formula C22H17BF6N4O8PtS2 and a molecular weight of 849.41 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)
PubChem CID139155845
Molecular FormulaC22H17BF6N4O8PtS2
Molecular Weight849.41 g/mol
Exact Mass849.01
IUPAC Name2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OB(O)c1ccncc1.[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C5H6BNO2.2CHF3O3S.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;8-6(9)5-1-3-7-4-2-5;2*2-1(3,4)8(5,6)7;/h1-11H;1-4,8-9H;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyHARAJPOWMCJDEG-UHFFFAOYSA-L
XLogP2.07
TPSA206.42 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
Acetonitrile;antimony(3+);bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);tris(trifluoromethanesulfonate)
CID 139046316
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
2,2'-Bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate
CID 139064871
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate) (CID 139155845) is 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate).
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.OB(O)c1ccncc1.[Pt+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)?
The InChIKey is HARAJPOWMCJDEG-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.C5H6BNO2.2CHF3O3S.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;8-6(9)5-1-3-7-4-2-5;2*2-1(3,4)8(5,6)7;/h1-11H;1-4,8-9H;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate)?
2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate) has a molecular weight of 849.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;platinum(2+);pyridin-4-ylboronic acid;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).