dichlororuthenium;phenylphosphane

C18H21Cl2P3Ru — CID 88728124

IUPACdichlororuthenium;phenylphosphane
SMILESCl[Ru]Cl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1
InChIInChI=1S/3C6H7P.2ClH.Ru/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H,7H2;2*1H;/q;;;;;+2/p-2
InChIKeyKXXOELAFDKDOBZ-UHFFFAOYSA-L
MW502.26 g/mol
LogP4.94
Rot. Bonds

About dichlororuthenium;phenylphosphane

dichlororuthenium;phenylphosphane (PubChem CID 88728124) has the molecular formula C18H21Cl2P3Ru and a molecular weight of 502.26 g/mol. Its IUPAC name is dichlororuthenium;phenylphosphane.

Molecular Properties

Compound Namedichlororuthenium;phenylphosphane
PubChem CID88728124
Molecular FormulaC18H21Cl2P3Ru
Molecular Weight502.26 g/mol
Exact Mass501.93
IUPAC Namedichlororuthenium;phenylphosphane
SMILESCl[Ru]Cl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1
InChIInChI=1S/3C6H7P.2ClH.Ru/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H,7H2;2*1H;/q;;;;;+2/p-2
InChIKeyKXXOELAFDKDOBZ-UHFFFAOYSA-L
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.26
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlororuthenium;phenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenylphosphane
CID 160937143
CID 159013502
CID 159013502
phenylphosphane;hydrochloride
CID 172838104
palladium(2+);phenylphosphane
CID 18006167
chloro thiohypochlorite;phenylphosphane
CID 170851683
1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane
CID 88636119
dichloropalladium;phenylphosphane
CID 87787995
nickel;phenylphosphane;hydrochloride
CID 88505653
disodium;hydride;phenylphosphane
CID 173187531
molecular hydrogen;phenylphosphane
CID 174185576
ethane;phenylphosphane;phosphane
CID 160653411
carbonic acid;phenylphosphane
CID 173309106

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;phenylphosphane?
The IUPAC name of dichlororuthenium;phenylphosphane (CID 88728124) is dichlororuthenium;phenylphosphane.
What is the SMILES notation for dichlororuthenium;phenylphosphane?
The canonical SMILES for dichlororuthenium;phenylphosphane is Cl[Ru]Cl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.
What is the InChIKey of dichlororuthenium;phenylphosphane?
The InChIKey is KXXOELAFDKDOBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H7P.2ClH.Ru/c3*7-6-4-2-1-3-5-6;;;/h3*1-5H,7H2;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichlororuthenium;phenylphosphane?
dichlororuthenium;phenylphosphane has a molecular weight of 502.26 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;phenylphosphane is sourced from PubChem (CID 88728124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).