chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)

C51H42ClN3P3Ru — CID 11147372

IUPACchlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
SMILESCl[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/3C17H14NP.ClH.Ru/c3*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;/h3*1-14H;1H;/q;;;;+1/p-1
InChIKeyQXXKVFNZRONLHQ-UHFFFAOYSA-M
MW926.36 g/mol
LogP9.21
Rot. Bonds9

About chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)

chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane) (PubChem CID 11147372) has the molecular formula C51H42ClN3P3Ru and a molecular weight of 926.36 g/mol. Its IUPAC name is chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane).

Molecular Properties

Compound Namechlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
PubChem CID11147372
Molecular FormulaC51H42ClN3P3Ru
Molecular Weight926.36 g/mol
Exact Mass926.13
IUPAC Namechlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
SMILESCl[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/3C17H14NP.ClH.Ru/c3*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;/h3*1-14H;1H;/q;;;;+1/p-1
InChIKeyQXXKVFNZRONLHQ-UHFFFAOYSA-M
XLogP9.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.36
LogP ≤ 59.21
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

diphenyl(pyridin-2-yl)phosphane
CID 621893
dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
CID 135082659
bis(4-fluorophenyl)-pyridin-2-ylphosphane
CID 87213257
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
bis(4-ethenylphenyl)-pyridin-2-ylphosphane
CID 122653862
bis(diphenyl(pyridin-2-yl)phosphane);bis((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 11982785
(6-deuterio-2-pyridinyl)-diphenylphosphane
CID 11021746
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
bis(2-chlorophenyl)-pyridin-2-ylphosphane
CID 21284230
carbanide;copper;dichloromethane;diphenyl(pyridin-2-yl)phosphane;diphenyl(pyridin-2-yl)phosphanium;methanidylbenzene;triphenylphosphanium
CID 159189675
triphenylphosphane;yttrium
CID 139917776
dicyclohexyl-[4-[4-[phenyl(pyridin-2-yl)phosphanyl]phenyl]cyclohexyl]phosphane
CID 166775460

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)?
The IUPAC name of chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane) (CID 11147372) is chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane).
What is the SMILES notation for chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)?
The canonical SMILES for chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane) is Cl[Ru].c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)?
The InChIKey is QXXKVFNZRONLHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/3C17H14NP.ClH.Ru/c3*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;/h3*1-14H;1H;/q;;;;+1/p-1.
What are the key properties of chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)?
chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane) has a molecular weight of 926.36 g/mol, XLogP of 9.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane) is sourced from PubChem (CID 11147372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).