tribenzyl(decyl)phosphanium iodide

C31H42IP — CID 69307604

IUPACtribenzyl(decyl)phosphanium iodide
SMILESCCCCCCCCCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[I-]
InChIInChI=1S/C31H42P.HI/c1-2-3-4-5-6-7-8-18-25-32(26-29-19-12-9-13-20-29,27-30-21-14-10-15-22-30)28-31-23-16-11-17-24-31;/h9-17,19-24H,2-8,18,25-28H2,1H3;1H/q+1;/p-1
InChIKeyUYQNHVDFDBZODG-UHFFFAOYSA-M
MW572.56 g/mol
LogP6.75
Rot. Bonds15

About tribenzyl(decyl)phosphanium iodide

tribenzyl(decyl)phosphanium iodide (PubChem CID 69307604) has the molecular formula C31H42IP and a molecular weight of 572.56 g/mol. Its IUPAC name is tribenzyl(decyl)phosphanium iodide.

Molecular Properties

Compound Nametribenzyl(decyl)phosphanium iodide
PubChem CID69307604
Molecular FormulaC31H42IP
Molecular Weight572.56 g/mol
Exact Mass572.21
IUPAC Nametribenzyl(decyl)phosphanium iodide
SMILESCCCCCCCCCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[I-]
InChIInChI=1S/C31H42P.HI/c1-2-3-4-5-6-7-8-18-25-32(26-29-19-12-9-13-20-29,27-30-21-14-10-15-22-30)28-31-23-16-11-17-24-31;/h9-17,19-24H,2-8,18,25-28H2,1H3;1H/q+1;/p-1
InChIKeyUYQNHVDFDBZODG-UHFFFAOYSA-M
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.56
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-hexyl-propylphosphanium
CID 175204053
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
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 tribenzyl(decyl)phosphanium iodide?
The IUPAC name of tribenzyl(decyl)phosphanium iodide (CID 69307604) is tribenzyl(decyl)phosphanium iodide.
What is the SMILES notation for tribenzyl(decyl)phosphanium iodide?
The canonical SMILES for tribenzyl(decyl)phosphanium iodide is CCCCCCCCCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.[I-].
What is the InChIKey of tribenzyl(decyl)phosphanium iodide?
The InChIKey is UYQNHVDFDBZODG-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H42P.HI/c1-2-3-4-5-6-7-8-18-25-32(26-29-19-12-9-13-20-29,27-30-21-14-10-15-22-30)28-31-23-16-11-17-24-31;/h9-17,19-24H,2-8,18,25-28H2,1H3;1H/q+1;/p-1.
What are the key properties of tribenzyl(decyl)phosphanium iodide?
tribenzyl(decyl)phosphanium iodide has a molecular weight of 572.56 g/mol, XLogP of 6.75, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(decyl)phosphanium iodide is sourced from PubChem (CID 69307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).