potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride

C50H40ClKN2O6P4Ru — CID 139127906

IUPACpotassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride
SMILESO=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cl-].[K+].[Ru+2]
InChIInChI=1S/2C24H20NO2P2.2CO.ClH.K.Ru/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2;;;/h2*1-20H;;;1H;;/q2*-1;;;;+1;+2/p-1
InChIKeyQNOSYRRWQSQFCV-UHFFFAOYSA-M
MW1064.40 g/mol
LogP2.02
Rot. Bonds10

About potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride

potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride (PubChem CID 139127906) has the molecular formula C50H40ClKN2O6P4Ru and a molecular weight of 1064.40 g/mol. Its IUPAC name is potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride.

Molecular Properties

Compound Namepotassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride
PubChem CID139127906
Molecular FormulaC50H40ClKN2O6P4Ru
Molecular Weight1064.40 g/mol
Exact Mass1064.02
IUPAC Namepotassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride
SMILESO=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cl-].[K+].[Ru+2]
InChIInChI=1S/2C24H20NO2P2.2CO.ClH.K.Ru/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2;;;/h2*1-20H;;;1H;;/q2*-1;;;;+1;+2/p-1
InChIKeyQNOSYRRWQSQFCV-UHFFFAOYSA-M
XLogP2.02
TPSA144.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001064.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 68627267
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CID 15260741
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
CID 175055456
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
potassium methoxy(phenyl)phosphinate
CID 141246459
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
diphenylphosphinic acid chloride
CID 53401992
diphenylphosphorylbenzene;terbium
CID 86595283

Frequently Asked Questions

What is the IUPAC name of potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride?
The IUPAC name of potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride (CID 139127906) is potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride.
What is the SMILES notation for potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride?
The canonical SMILES for potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride is O=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=P(N=P([O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cl-].[K+].[Ru+2].
What is the InChIKey of potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride?
The InChIKey is QNOSYRRWQSQFCV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H20NO2P2.2CO.ClH.K.Ru/c2*26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2;;;/h2*1-20H;;;1H;;/q2*-1;;;;+1;+2/p-1.
What are the key properties of potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride?
potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride has a molecular weight of 1064.40 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride is sourced from PubChem (CID 139127906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).