5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide

C29H30BrClP+ — CID 175145177

IUPAC5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide
SMILESBr.Clc1ccccc1CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29ClP.BrH/c30-29-23-13-12-16-25(29)15-5-4-14-24-31(26-17-6-1-7-18-26,27-19-8-2-9-20-27)28-21-10-3-11-22-28;/h1-3,6-13,16-23H,4-5,14-15,24H2;1H/q+1;
InChIKeySDKKSSOVGWKJFF-UHFFFAOYSA-N
MW524.89 g/mol
LogP7.62
Rot. Bonds9

About 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide

5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide (PubChem CID 175145177) has the molecular formula C29H30BrClP+ and a molecular weight of 524.89 g/mol. Its IUPAC name is 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide
PubChem CID175145177
Molecular FormulaC29H30BrClP+
Molecular Weight524.89 g/mol
Exact Mass523.10
IUPAC Name5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide
SMILESBr.Clc1ccccc1CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29ClP.BrH/c30-29-23-13-12-16-25(29)15-5-4-14-24-31(26-17-6-1-7-18-26,27-19-8-2-9-20-27)28-21-10-3-11-22-28;/h1-3,6-13,16-23H,4-5,14-15,24H2;1H/q+1;
InChIKeySDKKSSOVGWKJFF-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.89
LogP ≤ 57.62
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide?
The IUPAC name of 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide (CID 175145177) is 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide.
What is the SMILES notation for 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide?
The canonical SMILES for 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide is Br.Clc1ccccc1CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide?
The InChIKey is SDKKSSOVGWKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClP.BrH/c30-29-23-13-12-16-25(29)15-5-4-14-24-31(26-17-6-1-7-18-26,27-19-8-2-9-20-27)28-21-10-3-11-22-28;/h1-3,6-13,16-23H,4-5,14-15,24H2;1H/q+1;.
What are the key properties of 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide?
5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide has a molecular weight of 524.89 g/mol, XLogP of 7.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)pentyl-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 175145177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).