butyl(diphenyl)phosphanium;carbanide;dichlororuthenium

C17H23Cl2PRu — CID 155931991

IUPACbutyl(diphenyl)phosphanium;carbanide;dichlororuthenium
SMILESCCCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru]Cl.[CH3-]
InChIInChI=1S/C16H19P.CH3.2ClH.Ru/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;;;/h4-13H,2-3,14H2,1H3;1H3;2*1H;/q;-1;;;+2/p-1
InChIKeyAOUJQYIAVPEEGB-UHFFFAOYSA-M
MW430.32 g/mol
LogP5.48
Rot. Bonds5

About butyl(diphenyl)phosphanium;carbanide;dichlororuthenium

butyl(diphenyl)phosphanium;carbanide;dichlororuthenium (PubChem CID 155931991) has the molecular formula C17H23Cl2PRu and a molecular weight of 430.32 g/mol. Its IUPAC name is butyl(diphenyl)phosphanium;carbanide;dichlororuthenium.

Molecular Properties

Compound Namebutyl(diphenyl)phosphanium;carbanide;dichlororuthenium
PubChem CID155931991
Molecular FormulaC17H23Cl2PRu
Molecular Weight430.32 g/mol
Exact Mass430.00
IUPAC Namebutyl(diphenyl)phosphanium;carbanide;dichlororuthenium
SMILESCCCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru]Cl.[CH3-]
InChIInChI=1S/C16H19P.CH3.2ClH.Ru/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;;;/h4-13H,2-3,14H2,1H3;1H3;2*1H;/q;-1;;;+2/p-1
InChIKeyAOUJQYIAVPEEGB-UHFFFAOYSA-M
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl(diphenyl)phosphanium;carbanide;dichlororuthenium 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

carbanide;dichlororuthenium;triphenylphosphanium
CID 59680687
carbanide;bis(dichlororuthenium);bis(2-diphenylphosphaniumylethylazanide);bis(diphenyl(propyl)phosphanium);propane;propylazanide;ruthenium(3+);ruthenium(5+);ruthenium dihydride
CID 161475389
chloromethylbenzene;tributylphosphanium;chloride
CID 160545991
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
heptadecane;triphenylphosphanium;bromide
CID 18781891
bis(copper(1+));tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);dicyanide
CID 11980496
bis(2-diphenylphosphaniumylethyl)-phenylphosphanium;chloroplatinum(1+)
CID 6392769
carbon monoxide;cobalt;3-cyclopenta-2,4-dien-1-ylpropyl(diphenyl)phosphanium
CID 11987204
dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 6383237
bis(2-(dimethylamino)ethyl-diphenylphosphanium);palladium(2+)
CID 6393632
fluorobenzene;hexane
CID 158112243
carbanide;gold(3+);methyl(diphenyl)phosphanium
CID 6327558

Frequently Asked Questions

What is the IUPAC name of butyl(diphenyl)phosphanium;carbanide;dichlororuthenium?
The IUPAC name of butyl(diphenyl)phosphanium;carbanide;dichlororuthenium (CID 155931991) is butyl(diphenyl)phosphanium;carbanide;dichlororuthenium.
What is the SMILES notation for butyl(diphenyl)phosphanium;carbanide;dichlororuthenium?
The canonical SMILES for butyl(diphenyl)phosphanium;carbanide;dichlororuthenium is CCCC[PH+](c1ccccc1)c1ccccc1.Cl[Ru]Cl.[CH3-].
What is the InChIKey of butyl(diphenyl)phosphanium;carbanide;dichlororuthenium?
The InChIKey is AOUJQYIAVPEEGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H19P.CH3.2ClH.Ru/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16;;;;/h4-13H,2-3,14H2,1H3;1H3;2*1H;/q;-1;;;+2/p-1.
What are the key properties of butyl(diphenyl)phosphanium;carbanide;dichlororuthenium?
butyl(diphenyl)phosphanium;carbanide;dichlororuthenium has a molecular weight of 430.32 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(diphenyl)phosphanium;carbanide;dichlororuthenium is sourced from PubChem (CID 155931991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).