5-bromopentyl(triphenyl)phosphanium

C23H25BrP+ — CID 53436148

IUPAC5-bromopentyl(triphenyl)phosphanium
SMILESBrCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25BrP/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2/q+1
InChIKeyFWRWLQHHWVBBFO-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.55
Rot. Bonds8

About 5-bromopentyl(triphenyl)phosphanium

5-bromopentyl(triphenyl)phosphanium (PubChem CID 53436148) has the molecular formula C23H25BrP+ and a molecular weight of 412.33 g/mol. Its IUPAC name is 5-bromopentyl(triphenyl)phosphanium.

Molecular Properties

Compound Name5-bromopentyl(triphenyl)phosphanium
PubChem CID53436148
Molecular FormulaC23H25BrP+
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name5-bromopentyl(triphenyl)phosphanium
SMILESBrCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25BrP/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2/q+1
InChIKeyFWRWLQHHWVBBFO-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
3-bromopropyl-(4-carboxyphenyl)-diphenylphosphanium
CID 155644399
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl(undecyl)phosphanium chloride
CID 22921220
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
CID 101437845
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696

Frequently Asked Questions

What is the IUPAC name of 5-bromopentyl(triphenyl)phosphanium?
The IUPAC name of 5-bromopentyl(triphenyl)phosphanium (CID 53436148) is 5-bromopentyl(triphenyl)phosphanium.
What is the SMILES notation for 5-bromopentyl(triphenyl)phosphanium?
The canonical SMILES for 5-bromopentyl(triphenyl)phosphanium is BrCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromopentyl(triphenyl)phosphanium?
The InChIKey is FWRWLQHHWVBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrP/c24-19-11-4-12-20-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2/q+1.
What are the key properties of 5-bromopentyl(triphenyl)phosphanium?
5-bromopentyl(triphenyl)phosphanium has a molecular weight of 412.33 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentyl(triphenyl)phosphanium is sourced from PubChem (CID 53436148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).