nickel(2+);bis(tributylphosphanium);dibromide

C24H56Br2NiP2+2 — CID 171703323

IUPACnickel(2+);bis(tributylphosphanium);dibromide
SMILESCCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.[Br-].[Br-].[Ni+2]
InChIInChI=1S/2C12H27P.2BrH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2
InChIKeyJRHYDBOXJQOUJY-UHFFFAOYSA-N
MW625.16 g/mol
LogP3.21
Rot. Bonds18

About nickel(2+);bis(tributylphosphanium);dibromide

nickel(2+);bis(tributylphosphanium);dibromide (PubChem CID 171703323) has the molecular formula C24H56Br2NiP2+2 and a molecular weight of 625.16 g/mol. Its IUPAC name is nickel(2+);bis(tributylphosphanium);dibromide.

Molecular Properties

Compound Namenickel(2+);bis(tributylphosphanium);dibromide
PubChem CID171703323
Molecular FormulaC24H56Br2NiP2+2
Molecular Weight625.16 g/mol
Exact Mass622.16
IUPAC Namenickel(2+);bis(tributylphosphanium);dibromide
SMILESCCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.[Br-].[Br-].[Ni+2]
InChIInChI=1S/2C12H27P.2BrH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2
InChIKeyJRHYDBOXJQOUJY-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.16
LogP ≤ 53.21
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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CID 160545991
potassium;hexane;hydroxide
CID 158076133
beryllium;hexane;hydride
CID 173045264
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chloroethane;pentane
CID 161358526
hexane;hypochlorous acid
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Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(tributylphosphanium);dibromide?
The IUPAC name of nickel(2+);bis(tributylphosphanium);dibromide (CID 171703323) is nickel(2+);bis(tributylphosphanium);dibromide.
What is the SMILES notation for nickel(2+);bis(tributylphosphanium);dibromide?
The canonical SMILES for nickel(2+);bis(tributylphosphanium);dibromide is CCCC[PH+](CCCC)CCCC.CCCC[PH+](CCCC)CCCC.[Br-].[Br-].[Ni+2].
What is the InChIKey of nickel(2+);bis(tributylphosphanium);dibromide?
The InChIKey is JRHYDBOXJQOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27P.2BrH.Ni/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;;;/h2*4-12H2,1-3H3;2*1H;/q;;;;+2.
What are the key properties of nickel(2+);bis(tributylphosphanium);dibromide?
nickel(2+);bis(tributylphosphanium);dibromide has a molecular weight of 625.16 g/mol, XLogP of 3.21, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(tributylphosphanium);dibromide is sourced from PubChem (CID 171703323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).