6-(chloroamino)hexyl-triphenylphosphanium

C24H28ClNP+ — CID 87551290

IUPAC6-(chloroamino)hexyl-triphenylphosphanium
SMILESClNCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28ClNP/c25-26-20-12-1-2-13-21-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2/q+1
InChIKeyXCDGGNIKWSXZIL-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.28
Rot. Bonds10

About 6-(chloroamino)hexyl-triphenylphosphanium

6-(chloroamino)hexyl-triphenylphosphanium (PubChem CID 87551290) has the molecular formula C24H28ClNP+ and a molecular weight of 396.92 g/mol. Its IUPAC name is 6-(chloroamino)hexyl-triphenylphosphanium.

Molecular Properties

Compound Name6-(chloroamino)hexyl-triphenylphosphanium
PubChem CID87551290
Molecular FormulaC24H28ClNP+
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name6-(chloroamino)hexyl-triphenylphosphanium
SMILESClNCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28ClNP/c25-26-20-12-1-2-13-21-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2/q+1
InChIKeyXCDGGNIKWSXZIL-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
4-hydrazinylbutyl(triphenyl)phosphanium
CID 89167956
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
hexyl(triphenyl)phosphanium
CID 2724570
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
3-(bromoamino)propyl-triphenylphosphanium bromide
CID 174219863
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium iodide
CID 22245251

Frequently Asked Questions

What is the IUPAC name of 6-(chloroamino)hexyl-triphenylphosphanium?
The IUPAC name of 6-(chloroamino)hexyl-triphenylphosphanium (CID 87551290) is 6-(chloroamino)hexyl-triphenylphosphanium.
What is the SMILES notation for 6-(chloroamino)hexyl-triphenylphosphanium?
The canonical SMILES for 6-(chloroamino)hexyl-triphenylphosphanium is ClNCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(chloroamino)hexyl-triphenylphosphanium?
The InChIKey is XCDGGNIKWSXZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNP/c25-26-20-12-1-2-13-21-27(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19,26H,1-2,12-13,20-21H2/q+1.
What are the key properties of 6-(chloroamino)hexyl-triphenylphosphanium?
6-(chloroamino)hexyl-triphenylphosphanium has a molecular weight of 396.92 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloroamino)hexyl-triphenylphosphanium is sourced from PubChem (CID 87551290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).