benzyl(triphenyl)phosphanium bromide

C25H22BrP — CID 2734970

IUPACbenzyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyWTEPWWCRWNCUNA-UHFFFAOYSA-M
MW433.33 g/mol
LogP2.18
Rot. Bonds5

About benzyl(triphenyl)phosphanium bromide

benzyl(triphenyl)phosphanium bromide (PubChem CID 2734970) has the molecular formula C25H22BrP and a molecular weight of 433.33 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium bromide
PubChem CID2734970
Molecular FormulaC25H22BrP
Molecular Weight433.33 g/mol
Exact Mass432.06
IUPAC Namebenzyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChIKeyWTEPWWCRWNCUNA-UHFFFAOYSA-M
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium bromide?
The IUPAC name of benzyl(triphenyl)phosphanium bromide (CID 2734970) is benzyl(triphenyl)phosphanium bromide.
What is the SMILES notation for benzyl(triphenyl)phosphanium bromide?
The canonical SMILES for benzyl(triphenyl)phosphanium bromide is [Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium bromide?
The InChIKey is WTEPWWCRWNCUNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1.
What are the key properties of benzyl(triphenyl)phosphanium bromide?
benzyl(triphenyl)phosphanium bromide has a molecular weight of 433.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).