tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)

C132H288B4N4O8P8 — CID 173080868

IUPACtetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]
InChIInChI=1S/8C16H36P.4CBNO2/c8*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*3-1-2(4)5/h8*5-16H2,1-4H3;;;;/q8*+1;4*-2
InChIKeyJHZCPUQRQIWHAF-UHFFFAOYSA-N
MW2350.82 g/mol
LogP38.67
Rot. Bonds96

About tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)

tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium) (PubChem CID 173080868) has the molecular formula C132H288B4N4O8P8 and a molecular weight of 2350.82 g/mol. Its IUPAC name is tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium).

Molecular Properties

Compound Nametetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)
PubChem CID173080868
Molecular FormulaC132H288B4N4O8P8
Molecular Weight2350.82 g/mol
Exact Mass2350.05
IUPAC Nametetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]
InChIInChI=1S/8C16H36P.4CBNO2/c8*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*3-1-2(4)5/h8*5-16H2,1-4H3;;;;/q8*+1;4*-2
InChIKeyJHZCPUQRQIWHAF-UHFFFAOYSA-N
XLogP38.67
TPSA279.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds96
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002350.82
LogP ≤ 538.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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;tetracyanoboranuide
CID 87443480
tetrabutylphosphanium;tin(4+)
CID 160650774
cyanamide;tributyl(octyl)phosphanium
CID 87573040
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
butan-1-olate;tetrabutylphosphanium
CID 19766644
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)?
The IUPAC name of tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium) (CID 173080868) is tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium).
What is the SMILES notation for tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)?
The canonical SMILES for tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium) is CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].
What is the InChIKey of tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)?
The InChIKey is JHZCPUQRQIWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/8C16H36P.4CBNO2/c8*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*3-1-2(4)5/h8*5-16H2,1-4H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium)?
tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium) has a molecular weight of 2350.82 g/mol, XLogP of 38.67, 96 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dioxidoboranylformonitrile);octakis(tetrabutylphosphanium) is sourced from PubChem (CID 173080868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).