dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium

C32H70Br2Cl2CoP2 — CID 160733606

IUPACdibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl[Co-2](Cl)(Br)Br
InChIInChI=1S/C32H70P2.2BrH.2ClH.Co/c1-7-13-25-33(26-14-8-2,27-15-9-3)31-23-21-19-20-22-24-32-34(28-16-10-4,29-17-11-5)30-18-12-6;;;;;/h7-32H2,1-6H3;4*1H;/q+2;;;;;+2/p-4
InChIKeyXXDOSPFLJSKNQV-UHFFFAOYSA-J
MW806.51 g/mol
LogP15.23
Rot. Bonds27

About dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium

dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium (PubChem CID 160733606) has the molecular formula C32H70Br2Cl2CoP2 and a molecular weight of 806.51 g/mol. Its IUPAC name is dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium.

Molecular Properties

Compound Namedibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium
PubChem CID160733606
Molecular FormulaC32H70Br2Cl2CoP2
Molecular Weight806.51 g/mol
Exact Mass803.20
IUPAC Namedibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl[Co-2](Cl)(Br)Br
InChIInChI=1S/C32H70P2.2BrH.2ClH.Co/c1-7-13-25-33(26-14-8-2,27-15-9-3)31-23-21-19-20-22-24-32-34(28-16-10-4,29-17-11-5)30-18-12-6;;;;;/h7-32H2,1-6H3;4*1H;/q+2;;;;;+2/p-4
InChIKeyXXDOSPFLJSKNQV-UHFFFAOYSA-J
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.51
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
tribromo(fluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
CID 161305479
dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
CID 161462997
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
azane;tributyl(hexadecyl)phosphanium
CID 172712894
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919

Frequently Asked Questions

What is the IUPAC name of dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium?
The IUPAC name of dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium (CID 160733606) is dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium.
What is the SMILES notation for dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium?
The canonical SMILES for dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium is CCCC[P+](CCCC)(CCCC)CCCCCCCC[P+](CCCC)(CCCC)CCCC.Cl[Co-2](Cl)(Br)Br.
What is the InChIKey of dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium?
The InChIKey is XXDOSPFLJSKNQV-UHFFFAOYSA-J. The full InChI is InChI=1S/C32H70P2.2BrH.2ClH.Co/c1-7-13-25-33(26-14-8-2,27-15-9-3)31-23-21-19-20-22-24-32-34(28-16-10-4,29-17-11-5)30-18-12-6;;;;;/h7-32H2,1-6H3;4*1H;/q+2;;;;;+2/p-4.
What are the key properties of dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium?
dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium has a molecular weight of 806.51 g/mol, XLogP of 15.23, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium is sourced from PubChem (CID 160733606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).