hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride

C72H144Br6F6N18P6 — CID 157117793

IUPAChexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
SMILESBr[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/6C12H24BrN3P.6FH/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h6*1-12H2;6*1H/q6*+1;;;;;;/p-6
InChIKeyAHPKEZZXQIYJFB-UHFFFAOYSA-H
MW2041.33 g/mol
LogP2.10
Rot. Bonds18

About hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride

hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride (PubChem CID 157117793) has the molecular formula C72H144Br6F6N18P6 and a molecular weight of 2041.33 g/mol. Its IUPAC name is hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride.

Molecular Properties

Compound Namehexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
PubChem CID157117793
Molecular FormulaC72H144Br6F6N18P6
Molecular Weight2041.33 g/mol
Exact Mass2034.53
IUPAC Namehexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
SMILESBr[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.[F-].[F-].[F-].[F-].[F-].[F-]
InChIInChI=1S/6C12H24BrN3P.6FH/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h6*1-12H2;6*1H/q6*+1;;;;;;/p-6
InChIKeyAHPKEZZXQIYJFB-UHFFFAOYSA-H
XLogP2.10
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002041.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

bromo(tripyrrolidin-1-yl)phosphanium;phosphane
CID 172841152
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
cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 141012644
(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
CID 10076714
1-(azepan-1-yl)-3-bromopropan-1-ol
CID 91001208
1-(1-bromobutyl)piperidine
CID 174988490
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530

Frequently Asked Questions

What is the IUPAC name of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride?
The IUPAC name of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride (CID 157117793) is hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride.
What is the SMILES notation for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride?
The canonical SMILES for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride is Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.[F-].[F-].[F-].[F-].[F-].[F-].
What is the InChIKey of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride?
The InChIKey is AHPKEZZXQIYJFB-UHFFFAOYSA-H. The full InChI is InChI=1S/6C12H24BrN3P.6FH/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;;;;;;/h6*1-12H2;6*1H/q6*+1;;;;;;/p-6.
What are the key properties of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride?
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride has a molecular weight of 2041.33 g/mol, XLogP of 2.10, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride is sourced from PubChem (CID 157117793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).