ethenyl(triphenyl)phosphanium bromide

C20H18BrP — CID 2723893

IUPACethenyl(triphenyl)phosphanium bromide
SMILESC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1
InChIKeyVRAYVWUMBAJVGH-UHFFFAOYSA-M
MW369.24 g/mol
LogP1.13
Rot. Bonds4

About ethenyl(triphenyl)phosphanium bromide

ethenyl(triphenyl)phosphanium bromide (PubChem CID 2723893) has the molecular formula C20H18BrP and a molecular weight of 369.24 g/mol. Its IUPAC name is ethenyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Nameethenyl(triphenyl)phosphanium bromide
PubChem CID2723893
Molecular FormulaC20H18BrP
Molecular Weight369.24 g/mol
Exact Mass368.03
IUPAC Nameethenyl(triphenyl)phosphanium bromide
SMILESC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1
InChIKeyVRAYVWUMBAJVGH-UHFFFAOYSA-M
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 51.13
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 ethenyl(triphenyl)phosphanium bromide?
The IUPAC name of ethenyl(triphenyl)phosphanium bromide (CID 2723893) is ethenyl(triphenyl)phosphanium bromide.
What is the SMILES notation for ethenyl(triphenyl)phosphanium bromide?
The canonical SMILES for ethenyl(triphenyl)phosphanium bromide is C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of ethenyl(triphenyl)phosphanium bromide?
The InChIKey is VRAYVWUMBAJVGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1.
What are the key properties of ethenyl(triphenyl)phosphanium bromide?
ethenyl(triphenyl)phosphanium bromide has a molecular weight of 369.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2723893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).