nickel(2+);tetrakis(triethylphosphane);dichloride

C24H60Cl2NiP4 — CID 173060513

IUPACnickel(2+);tetrakis(triethylphosphane);dichloride
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/4C6H15P.2ClH.Ni/c4*1-4-7(5-2)6-3;;;/h4*4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyWTIYFBCYDFBRDR-UHFFFAOYSA-L
MW602.24 g/mol
LogP4.12
Rot. Bonds12

About nickel(2+);tetrakis(triethylphosphane);dichloride

nickel(2+);tetrakis(triethylphosphane);dichloride (PubChem CID 173060513) has the molecular formula C24H60Cl2NiP4 and a molecular weight of 602.24 g/mol. Its IUPAC name is nickel(2+);tetrakis(triethylphosphane);dichloride.

Molecular Properties

Compound Namenickel(2+);tetrakis(triethylphosphane);dichloride
PubChem CID173060513
Molecular FormulaC24H60Cl2NiP4
Molecular Weight602.24 g/mol
Exact Mass600.24
IUPAC Namenickel(2+);tetrakis(triethylphosphane);dichloride
SMILESCCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/4C6H15P.2ClH.Ni/c4*1-4-7(5-2)6-3;;;/h4*4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2
InChIKeyWTIYFBCYDFBRDR-UHFFFAOYSA-L
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nickel(2+);tetrakis(triethylphosphane);dichloride?
The IUPAC name of nickel(2+);tetrakis(triethylphosphane);dichloride (CID 173060513) is nickel(2+);tetrakis(triethylphosphane);dichloride.
What is the SMILES notation for nickel(2+);tetrakis(triethylphosphane);dichloride?
The canonical SMILES for nickel(2+);tetrakis(triethylphosphane);dichloride is CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.CCP(CC)CC.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of nickel(2+);tetrakis(triethylphosphane);dichloride?
The InChIKey is WTIYFBCYDFBRDR-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6H15P.2ClH.Ni/c4*1-4-7(5-2)6-3;;;/h4*4-6H2,1-3H3;2*1H;/q;;;;;;+2/p-2.
What are the key properties of nickel(2+);tetrakis(triethylphosphane);dichloride?
nickel(2+);tetrakis(triethylphosphane);dichloride has a molecular weight of 602.24 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tetrakis(triethylphosphane);dichloride is sourced from PubChem (CID 173060513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).