chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate

C26H19ClF6N4PRu — CID 50901693

IUPACchlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
SMILESCl[Ru+2].F[P-](F)(F)(F)(F)F.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H8N.ClH.F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-7(2,3,4,5)6;/h1-11H;1-6,8-9H;1H;;/q;-1;;-1;+3/p-1
InChIKeyMVOLJWUFDJCOMB-UHFFFAOYSA-M
MW668.95 g/mol
LogP9.82
Rot. Bonds3

About chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate

chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate (PubChem CID 50901693) has the molecular formula C26H19ClF6N4PRu and a molecular weight of 668.95 g/mol. Its IUPAC name is chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate.

Molecular Properties

Compound Namechlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
PubChem CID50901693
Molecular FormulaC26H19ClF6N4PRu
Molecular Weight668.95 g/mol
Exact Mass669.00
IUPAC Namechlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
SMILESCl[Ru+2].F[P-](F)(F)(F)(F)F.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H8N.ClH.F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-7(2,3,4,5)6;/h1-11H;1-6,8-9H;1H;;/q;-1;;-1;+3/p-1
InChIKeyMVOLJWUFDJCOMB-UHFFFAOYSA-M
XLogP9.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.95
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium;tris(2-phenylpyridine)
CID 23386734
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
1,9-dihydrodibenzofuran-1,9-diide;2-phenyl-6-pyridin-2-ylpyridine;bis(platinum(2+));2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 164733625
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
3-chloro-6-phenylpyridazine;iridium;2-phenylpyridine
CID 23526288

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate?
The IUPAC name of chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate (CID 50901693) is chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate.
What is the SMILES notation for chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate?
The canonical SMILES for chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate is Cl[Ru+2].F[P-](F)(F)(F)(F)F.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate?
The InChIKey is MVOLJWUFDJCOMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3.C11H8N.ClH.F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-7(2,3,4,5)6;/h1-11H;1-6,8-9H;1H;;/q;-1;;-1;+3/p-1.
What are the key properties of chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate?
chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate has a molecular weight of 668.95 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate is sourced from PubChem (CID 50901693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).