tetraphenylphosphanium bromide

C24H20BrP — CID 2724163

IUPACtetraphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1
InChIKeyBRKFQVAOMSWFDU-UHFFFAOYSA-M
MW419.30 g/mol
LogP1.31
Rot. Bonds4

About tetraphenylphosphanium bromide

tetraphenylphosphanium bromide (PubChem CID 2724163) has the molecular formula C24H20BrP and a molecular weight of 419.30 g/mol. Its IUPAC name is tetraphenylphosphanium bromide.

Molecular Properties

Compound Nametetraphenylphosphanium bromide
PubChem CID2724163
Molecular FormulaC24H20BrP
Molecular Weight419.30 g/mol
Exact Mass418.05
IUPAC Nametetraphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1
InChIKeyBRKFQVAOMSWFDU-UHFFFAOYSA-M
XLogP1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenylphosphine
CID 11776
Triphenylantimony
CID 11777
Triphenylbismuth
CID 11774
Triphenylphosphine Oxide
CID 13097
Sodium Tetraphenylborate
CID 2723787
Benzyltriphenylphosphonium chloride
CID 70671
Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Tetraphenyltin
CID 61146
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenyllead
CID 72906
Nickel, dichlorobis(triphenylphosphine)-
CID 498315

Frequently Asked Questions

What is the IUPAC name of tetraphenylphosphanium bromide?
The IUPAC name of tetraphenylphosphanium bromide (CID 2724163) is tetraphenylphosphanium bromide.
What is the SMILES notation for tetraphenylphosphanium bromide?
The canonical SMILES for tetraphenylphosphanium bromide is [Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylphosphanium bromide?
The InChIKey is BRKFQVAOMSWFDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1.
What are the key properties of tetraphenylphosphanium bromide?
tetraphenylphosphanium bromide has a molecular weight of 419.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylphosphanium bromide is sourced from PubChem (CID 2724163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).