azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide

C24H31BrNOP — CID 172743171

IUPACazane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
SMILESN.OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28OP.BrH.H3N/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H;1H3/q+1;;/p-1
InChIKeyNNALZOMQBMVAHL-UHFFFAOYSA-M
MW460.40 g/mol
LogP1.70
Rot. Bonds9

About azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide

azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide (PubChem CID 172743171) has the molecular formula C24H31BrNOP and a molecular weight of 460.40 g/mol. Its IUPAC name is azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide.

Molecular Properties

Compound Nameazane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
PubChem CID172743171
Molecular FormulaC24H31BrNOP
Molecular Weight460.40 g/mol
Exact Mass459.13
IUPAC Nameazane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
SMILESN.OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28OP.BrH.H3N/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H;1H3/q+1;;/p-1
InChIKeyNNALZOMQBMVAHL-UHFFFAOYSA-M
XLogP1.70
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
8-bromooctyl(triphenyl)phosphanium
CID 11991463
triphenyl(4-sulfanylbutyl)phosphanium bromide
CID 71353664
hexyl(triphenyl)phosphanium
CID 2724570
5-bromopentyl(triphenyl)phosphanium
CID 53436148
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide?
The IUPAC name of azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide (CID 172743171) is azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide.
What is the SMILES notation for azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide?
The canonical SMILES for azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide is N.OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide?
The InChIKey is NNALZOMQBMVAHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28OP.BrH.H3N/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H;1H3/q+1;;/p-1.
What are the key properties of azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide?
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide has a molecular weight of 460.40 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide is sourced from PubChem (CID 172743171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).