dibenzyl(didecyl)phosphanium

C34H56P+ — CID 69307785

IUPACdibenzyl(didecyl)phosphanium
SMILESCCCCCCCCCC[P+](CCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H56P/c1-3-5-7-9-11-13-15-23-29-35(31-33-25-19-17-20-26-33,32-34-27-21-18-22-28-34)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-32H2,1-2H3/q+1
InChIKeyXXTWGGPHPTWECH-UHFFFAOYSA-N
MW495.80 g/mol
LogP11.69
Rot. Bonds22

About dibenzyl(didecyl)phosphanium

dibenzyl(didecyl)phosphanium (PubChem CID 69307785) has the molecular formula C34H56P+ and a molecular weight of 495.80 g/mol. Its IUPAC name is dibenzyl(didecyl)phosphanium.

Molecular Properties

Compound Namedibenzyl(didecyl)phosphanium
PubChem CID69307785
Molecular FormulaC34H56P+
Molecular Weight495.80 g/mol
Exact Mass495.41
IUPAC Namedibenzyl(didecyl)phosphanium
SMILESCCCCCCCCCC[P+](CCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H56P/c1-3-5-7-9-11-13-15-23-29-35(31-33-25-19-17-20-26-33,32-34-27-21-18-22-28-34)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-32H2,1-2H3/q+1
InChIKeyXXTWGGPHPTWECH-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.80
LogP ≤ 511.69
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(didodecyl)phosphanium bromide
CID 69306465
dibenzyl-hexyl-propylphosphanium
CID 175204053
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
tribenzyl(decyl)phosphanium iodide
CID 69307604
benzyl-bis(hydroxymethyl)-octadecylphosphanium;tris(hydroxymethyl)-octadecylphosphanium;dichloride
CID 158311168
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-hexyl-diphenylphosphanium chloride
CID 139486895
benzyl(tripropyl)phosphanium bromide
CID 68744786

Frequently Asked Questions

What is the IUPAC name of dibenzyl(didecyl)phosphanium?
The IUPAC name of dibenzyl(didecyl)phosphanium (CID 69307785) is dibenzyl(didecyl)phosphanium.
What is the SMILES notation for dibenzyl(didecyl)phosphanium?
The canonical SMILES for dibenzyl(didecyl)phosphanium is CCCCCCCCCC[P+](CCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(didecyl)phosphanium?
The InChIKey is XXTWGGPHPTWECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56P/c1-3-5-7-9-11-13-15-23-29-35(31-33-25-19-17-20-26-33,32-34-27-21-18-22-28-34)30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-32H2,1-2H3/q+1.
What are the key properties of dibenzyl(didecyl)phosphanium?
dibenzyl(didecyl)phosphanium has a molecular weight of 495.80 g/mol, XLogP of 11.69, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(didecyl)phosphanium is sourced from PubChem (CID 69307785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).