hexyl(triphenyl)phosphanium bromide

C24H28BrP — CID 2724569

IUPAChexyl(triphenyl)phosphanium bromide
SMILESCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
InChIKeyPWDFZWZPWFYFTC-UHFFFAOYSA-M
MW427.37 g/mol
LogP2.56
Rot. Bonds8

About hexyl(triphenyl)phosphanium bromide

hexyl(triphenyl)phosphanium bromide (PubChem CID 2724569) has the molecular formula C24H28BrP and a molecular weight of 427.37 g/mol. Its IUPAC name is hexyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namehexyl(triphenyl)phosphanium bromide
PubChem CID2724569
Molecular FormulaC24H28BrP
Molecular Weight427.37 g/mol
Exact Mass426.11
IUPAC Namehexyl(triphenyl)phosphanium bromide
SMILESCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1
InChIKeyPWDFZWZPWFYFTC-UHFFFAOYSA-M
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl(triphenyl)phosphanium bromide?
The IUPAC name of hexyl(triphenyl)phosphanium bromide (CID 2724569) is hexyl(triphenyl)phosphanium bromide.
What is the SMILES notation for hexyl(triphenyl)phosphanium bromide?
The canonical SMILES for hexyl(triphenyl)phosphanium bromide is CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of hexyl(triphenyl)phosphanium bromide?
The InChIKey is PWDFZWZPWFYFTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28P.BrH/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24;/h5-13,15-20H,2-4,14,21H2,1H3;1H/q+1;/p-1.
What are the key properties of hexyl(triphenyl)phosphanium bromide?
hexyl(triphenyl)phosphanium bromide has a molecular weight of 427.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2724569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).