bromo(tripyrrolidin-1-yl)phosphanium;phosphane

C12H42BrN3P7+ — CID 172841152

IUPACbromo(tripyrrolidin-1-yl)phosphanium;phosphane
SMILESBr[P+](N1CCCC1)(N1CCCC1)N1CCCC1.P.P.P.P.P.P
InChIInChI=1S/C12H24BrN3P.6H3P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h1-12H2;6*1H3/q+1;;;;;;
InChIKeyWUSSMZPKHIAXKH-UHFFFAOYSA-N
MW525.21 g/mol
LogP3.69
Rot. Bonds3

About bromo(tripyrrolidin-1-yl)phosphanium;phosphane

bromo(tripyrrolidin-1-yl)phosphanium;phosphane (PubChem CID 172841152) has the molecular formula C12H42BrN3P7+ and a molecular weight of 525.21 g/mol. Its IUPAC name is bromo(tripyrrolidin-1-yl)phosphanium;phosphane.

Molecular Properties

Compound Namebromo(tripyrrolidin-1-yl)phosphanium;phosphane
PubChem CID172841152
Molecular FormulaC12H42BrN3P7+
Molecular Weight525.21 g/mol
Exact Mass524.07
IUPAC Namebromo(tripyrrolidin-1-yl)phosphanium;phosphane
SMILESBr[P+](N1CCCC1)(N1CCCC1)N1CCCC1.P.P.P.P.P.P
InChIInChI=1S/C12H24BrN3P.6H3P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h1-12H2;6*1H3/q+1;;;;;;
InChIKeyWUSSMZPKHIAXKH-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
CID 157117793
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)
CID 173013677
methanolate;tetrapyrrolidin-1-ylphosphanium
CID 175019090
methanolate;tetra(piperidin-1-yl)phosphanium
CID 175015869
bromoform;1,4-diazabicyclo[2.2.2]octane
CID 139188827
benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium
CID 10481298
bromo-[2-(1-difluorooxyphosphoryloxyhexyl)pyrrolidin-1-yl]-dipyrrolidin-1-ylphosphanium
CID 140645478
1-methylpyrrolidine;phosphane
CID 159655297
cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 141012644
(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
CID 10076714
1-(1-bromobutyl)piperidine
CID 174988490
1-(azepan-1-yl)-3-bromopropan-1-ol
CID 91001208

Frequently Asked Questions

What is the IUPAC name of bromo(tripyrrolidin-1-yl)phosphanium;phosphane?
The IUPAC name of bromo(tripyrrolidin-1-yl)phosphanium;phosphane (CID 172841152) is bromo(tripyrrolidin-1-yl)phosphanium;phosphane.
What is the SMILES notation for bromo(tripyrrolidin-1-yl)phosphanium;phosphane?
The canonical SMILES for bromo(tripyrrolidin-1-yl)phosphanium;phosphane is Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.P.P.P.P.P.P.
What is the InChIKey of bromo(tripyrrolidin-1-yl)phosphanium;phosphane?
The InChIKey is WUSSMZPKHIAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN3P.6H3P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h1-12H2;6*1H3/q+1;;;;;;.
What are the key properties of bromo(tripyrrolidin-1-yl)phosphanium;phosphane?
bromo(tripyrrolidin-1-yl)phosphanium;phosphane has a molecular weight of 525.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tripyrrolidin-1-yl)phosphanium;phosphane is sourced from PubChem (CID 172841152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).