tetrabutylphosphanium;tetracyanoboranuide

C20H36BN4P — CID 87443480

IUPACtetrabutylphosphanium;tetracyanoboranuide
SMILESCCCC[P+](CCCC)(CCCC)CCCC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C16H36P.C4BN4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-1-5(2-7,3-8)4-9/h5-16H2,1-4H3;/q+1;-1
InChIKeySIIHZNUTRVZBPI-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.89
Rot. Bonds12

About tetrabutylphosphanium;tetracyanoboranuide

tetrabutylphosphanium;tetracyanoboranuide (PubChem CID 87443480) has the molecular formula C20H36BN4P and a molecular weight of 374.32 g/mol. Its IUPAC name is tetrabutylphosphanium;tetracyanoboranuide.

Molecular Properties

Compound Nametetrabutylphosphanium;tetracyanoboranuide
PubChem CID87443480
Molecular FormulaC20H36BN4P
Molecular Weight374.32 g/mol
Exact Mass374.28
IUPAC Nametetrabutylphosphanium;tetracyanoboranuide
SMILESCCCC[P+](CCCC)(CCCC)CCCC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C16H36P.C4BN4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-1-5(2-7,3-8)4-9/h5-16H2,1-4H3;/q+1;-1
InChIKeySIIHZNUTRVZBPI-UHFFFAOYSA-N
XLogP5.89
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
ethylphosphanium;tetracyanoboranuide
CID 90426635
cyanamide;tributyl(octyl)phosphanium
CID 87573040
tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)
CID 173080868
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
azanium;tetrabutylphosphanium;tetrafluoroborate
CID 175245992
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452

Frequently Asked Questions

What is the IUPAC name of tetrabutylphosphanium;tetracyanoboranuide?
The IUPAC name of tetrabutylphosphanium;tetracyanoboranuide (CID 87443480) is tetrabutylphosphanium;tetracyanoboranuide.
What is the SMILES notation for tetrabutylphosphanium;tetracyanoboranuide?
The canonical SMILES for tetrabutylphosphanium;tetracyanoboranuide is CCCC[P+](CCCC)(CCCC)CCCC.N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of tetrabutylphosphanium;tetracyanoboranuide?
The InChIKey is SIIHZNUTRVZBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.C4BN4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-1-5(2-7,3-8)4-9/h5-16H2,1-4H3;/q+1;-1.
What are the key properties of tetrabutylphosphanium;tetracyanoboranuide?
tetrabutylphosphanium;tetracyanoboranuide has a molecular weight of 374.32 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylphosphanium;tetracyanoboranuide is sourced from PubChem (CID 87443480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).