nickel;bis(tributylphosphane)

C24H54NiP2 — CID 50940317

IUPACnickel;bis(tributylphosphane)
SMILESCCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Ni]
InChIInChI=1S/2C12H27P.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*4-12H2,1-3H3;
InChIKeyPPFQMADUQXIJLH-UHFFFAOYSA-N
MW463.34 g/mol
LogP9.73
Rot. Bonds18

About nickel;bis(tributylphosphane)

nickel;bis(tributylphosphane) (PubChem CID 50940317) has the molecular formula C24H54NiP2 and a molecular weight of 463.34 g/mol. Its IUPAC name is nickel;bis(tributylphosphane).

Molecular Properties

Compound Namenickel;bis(tributylphosphane)
PubChem CID50940317
Molecular FormulaC24H54NiP2
Molecular Weight463.34 g/mol
Exact Mass462.31
IUPAC Namenickel;bis(tributylphosphane)
SMILESCCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Ni]
InChIInChI=1S/2C12H27P.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*4-12H2,1-3H3;
InChIKeyPPFQMADUQXIJLH-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(decyl)phosphane
CID 171559269
tripentylphosphane
CID 2784073
tributylphosphane;trichlorocobalt
CID 174913282
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Frequently Asked Questions

What is the IUPAC name of nickel;bis(tributylphosphane)?
The IUPAC name of nickel;bis(tributylphosphane) (CID 50940317) is nickel;bis(tributylphosphane).
What is the SMILES notation for nickel;bis(tributylphosphane)?
The canonical SMILES for nickel;bis(tributylphosphane) is CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.[Ni].
What is the InChIKey of nickel;bis(tributylphosphane)?
The InChIKey is PPFQMADUQXIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27P.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;/h2*4-12H2,1-3H3;.
What are the key properties of nickel;bis(tributylphosphane)?
nickel;bis(tributylphosphane) has a molecular weight of 463.34 g/mol, XLogP of 9.73, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis(tributylphosphane) is sourced from PubChem (CID 50940317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).