dibenzyl-hexyl-propylphosphanium

C23H34P+ — CID 175204053

IUPACdibenzyl-hexyl-propylphosphanium
SMILESCCCCCC[P+](CCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34P/c1-3-5-6-13-19-24(18-4-2,20-22-14-9-7-10-15-22)21-23-16-11-8-12-17-23/h7-12,14-17H,3-6,13,18-21H2,1-2H3/q+1
InChIKeyXVEBEIWBMCVDHK-UHFFFAOYSA-N
MW341.50 g/mol
LogP7.39
Rot. Bonds11

About dibenzyl-hexyl-propylphosphanium

dibenzyl-hexyl-propylphosphanium (PubChem CID 175204053) has the molecular formula C23H34P+ and a molecular weight of 341.50 g/mol. Its IUPAC name is dibenzyl-hexyl-propylphosphanium.

Molecular Properties

Compound Namedibenzyl-hexyl-propylphosphanium
PubChem CID175204053
Molecular FormulaC23H34P+
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Namedibenzyl-hexyl-propylphosphanium
SMILESCCCCCC[P+](CCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H34P/c1-3-5-6-13-19-24(18-4-2,20-22-14-9-7-10-15-22)21-23-16-11-8-12-17-23/h7-12,14-17H,3-6,13,18-21H2,1-2H3/q+1
InChIKeyXVEBEIWBMCVDHK-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.39
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

dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
tribenzyl(decyl)phosphanium iodide
CID 69307604
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
benzyl(tripropyl)phosphanium bromide
CID 68744786
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
benzyl-dec-9-enyl-dioctylphosphanium
CID 67372457
benzyl-decyl-dimethylphosphanium chloride
CID 67153395
benzyl-dimethyl-tetradecylphosphanium bromide
CID 69306168
azane;benzyl-didecyl-prop-2-enylphosphanium;hydrobromide
CID 174799231
benzyl-pent-4-enyl-dipropylphosphanium
CID 69022756

Frequently Asked Questions

What is the IUPAC name of dibenzyl-hexyl-propylphosphanium?
The IUPAC name of dibenzyl-hexyl-propylphosphanium (CID 175204053) is dibenzyl-hexyl-propylphosphanium.
What is the SMILES notation for dibenzyl-hexyl-propylphosphanium?
The canonical SMILES for dibenzyl-hexyl-propylphosphanium is CCCCCC[P+](CCC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-hexyl-propylphosphanium?
The InChIKey is XVEBEIWBMCVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34P/c1-3-5-6-13-19-24(18-4-2,20-22-14-9-7-10-15-22)21-23-16-11-8-12-17-23/h7-12,14-17H,3-6,13,18-21H2,1-2H3/q+1.
What are the key properties of dibenzyl-hexyl-propylphosphanium?
dibenzyl-hexyl-propylphosphanium has a molecular weight of 341.50 g/mol, XLogP of 7.39, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-hexyl-propylphosphanium is sourced from PubChem (CID 175204053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).