tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate

C72H156B3F12NP2 — CID 140553355

IUPACtetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C32H68P.C24H52N.C16H36P.3BF4/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*2-1(3,4)5/h5-32H2,1-4H3;5-24H2,1-4H3;5-16H2,1-4H3;;;/q3*+1;3*-1
InChIKeyOYQOQJVMADGJCY-UHFFFAOYSA-N
MW1358.41 g/mol
LogP30.67
Rot. Bonds60

About tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate

tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate (PubChem CID 140553355) has the molecular formula C72H156B3F12NP2 and a molecular weight of 1358.41 g/mol. Its IUPAC name is tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate.

Molecular Properties

Compound Nametetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
PubChem CID140553355
Molecular FormulaC72H156B3F12NP2
Molecular Weight1358.41 g/mol
Exact Mass1358.18
IUPAC Nametetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C32H68P.C24H52N.C16H36P.3BF4/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*2-1(3,4)5/h5-32H2,1-4H3;5-24H2,1-4H3;5-16H2,1-4H3;;;/q3*+1;3*-1
InChIKeyOYQOQJVMADGJCY-UHFFFAOYSA-N
XLogP30.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds60
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.41
LogP ≤ 530.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tributyl(dodecyl)azanium tetrafluoroborate
CID 141411504
azanium;tetrabutylphosphanium;tetrafluoroborate
CID 175245992
butyl-dioctyl-propylphosphanium
CID 87508429
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
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 tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate?
The IUPAC name of tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate (CID 140553355) is tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate.
What is the SMILES notation for tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate?
The canonical SMILES for tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate?
The InChIKey is OYQOQJVMADGJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68P.C24H52N.C16H36P.3BF4/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*2-1(3,4)5/h5-32H2,1-4H3;5-24H2,1-4H3;5-16H2,1-4H3;;;/q3*+1;3*-1.
What are the key properties of tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate?
tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate has a molecular weight of 1358.41 g/mol, XLogP of 30.67, 60 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylphosphanium;tetrahexylazanium;trihexyl(tetradecyl)phosphanium;tritetrafluoroborate is sourced from PubChem (CID 140553355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).