diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate

C31H26F6NO2P3Ru — CID 46847968

IUPACdiphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C6H5NO2.F6P.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h1-20H,21H2;1-4H,(H,8,9);;/q;;-1;+2/p-1
InChIKeyHFFYHTHMLTYBSG-UHFFFAOYSA-M
MW752.53 g/mol
LogP8.03
Rot. Bonds7

About diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate

diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate (PubChem CID 46847968) has the molecular formula C31H26F6NO2P3Ru and a molecular weight of 752.53 g/mol. Its IUPAC name is diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate.

Molecular Properties

Compound Namediphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate
PubChem CID46847968
Molecular FormulaC31H26F6NO2P3Ru
Molecular Weight752.53 g/mol
Exact Mass753.01
IUPAC Namediphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C6H5NO2.F6P.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h1-20H,21H2;1-4H,(H,8,9);;/q;;-1;+2/p-1
InChIKeyHFFYHTHMLTYBSG-UHFFFAOYSA-M
XLogP8.03
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.53
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

europium(3+);pyridine-2-carboxylate
CID 172810679
carbon monoxide;pyridine-2-carboxylate;ruthenium(2+);toluene;bis(triphenylphosphane);chloride
CID 139183207
dimethylazanium;pyridine-2-carboxylate
CID 67178639
CID 101438505
CID 101438505
CID 175246691
CID 175246691
gadolinium;pyridine-2-carboxylic acid
CID 175231422
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
hafnium;pyridine-2-carboxylic acid
CID 175130925
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate?
The IUPAC name of diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate (CID 46847968) is diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate.
What is the SMILES notation for diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate?
The canonical SMILES for diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.O=C([O-])c1ccccn1.[Ru+2].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate?
The InChIKey is HFFYHTHMLTYBSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P2.C6H5NO2.F6P.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;8-6(9)5-3-1-2-4-7-5;1-7(2,3,4,5)6;/h1-20H,21H2;1-4H,(H,8,9);;/q;;-1;+2/p-1.
What are the key properties of diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate?
diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate has a molecular weight of 752.53 g/mol, XLogP of 8.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 46847968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).