hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)

C72H144Br6F6N18O12P12+6 — CID 173013677

IUPAChexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)
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.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F
InChIInChI=1S/6C12H24BrN3P.6FO2P/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;6*1-4(2)3/h6*1-12H2;;;;;;/q6*+1;;;;;;
InChIKeyJVARKSPZCRXNMQ-UHFFFAOYSA-N
MW2419.16 g/mol
LogP19.92
Rot. Bonds18

About hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)

hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium) (PubChem CID 173013677) has the molecular formula C72H144Br6F6N18O12P12+6 and a molecular weight of 2419.16 g/mol. Its IUPAC name is hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium).

Molecular Properties

Compound Namehexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)
PubChem CID173013677
Molecular FormulaC72H144Br6F6N18O12P12+6
Molecular Weight2419.16 g/mol
Exact Mass2412.30
IUPAC Namehexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)
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.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F
InChIInChI=1S/6C12H24BrN3P.6FO2P/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;6*1-4(2)3/h6*1-12H2;;;;;;/q6*+1;;;;;;
InChIKeyJVARKSPZCRXNMQ-UHFFFAOYSA-N
XLogP19.92
TPSA299.10 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002419.16
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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
bromo(tripyrrolidin-1-yl)phosphanium;phosphane
CID 172841152
methanolate;tetrapyrrolidin-1-ylphosphanium
CID 175019090
methanolate;tetra(piperidin-1-yl)phosphanium
CID 175015869
bromo-[2-(1-difluorooxyphosphoryloxyhexyl)pyrrolidin-1-yl]-dipyrrolidin-1-ylphosphanium
CID 140645478
cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 141012644
azanide;hydroperoxy-oxido-oxophosphanium;molecular hydrogen;platinum(2+);2-(3-pyrrolidin-1-ylpropyl)propanedioic acid
CID 159359328
2-fluoro-3-pyrrolidin-1-ylpropanal
CID 87720505
(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
CID 10076714
(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 124582793
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
1-(2-bromo-3,4-difluoro-6-nitrophenyl)pyrrolidine
CID 168515363

Frequently Asked Questions

What is the IUPAC name of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)?
The IUPAC name of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium) (CID 173013677) is hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium).
What is the SMILES notation for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)?
The canonical SMILES for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium) 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.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.O=[P+]([O-])F.
What is the InChIKey of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)?
The InChIKey is JVARKSPZCRXNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H24BrN3P.6FO2P/c6*13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;6*1-4(2)3/h6*1-12H2;;;;;;/q6*+1;;;;;;.
What are the key properties of hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium)?
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium) has a molecular weight of 2419.16 g/mol, XLogP of 19.92, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexakis(fluoro-oxido-oxophosphanium) is sourced from PubChem (CID 173013677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).