tribenzyl(ethyl)phosphanium

C23H26P+ — CID 23415376

IUPACtribenzyl(ethyl)phosphanium
SMILESCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26P/c1-2-24(18-21-12-6-3-7-13-21,19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3/q+1
InChIKeyRIUPYZRJSJLTPZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP6.62
Rot. Bonds7

About tribenzyl(ethyl)phosphanium

tribenzyl(ethyl)phosphanium (PubChem CID 23415376) has the molecular formula C23H26P+ and a molecular weight of 333.44 g/mol. Its IUPAC name is tribenzyl(ethyl)phosphanium.

Molecular Properties

Compound Nametribenzyl(ethyl)phosphanium
PubChem CID23415376
Molecular FormulaC23H26P+
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Nametribenzyl(ethyl)phosphanium
SMILESCC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26P/c1-2-24(18-21-12-6-3-7-13-21,19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3/q+1
InChIKeyRIUPYZRJSJLTPZ-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 66672385
CID 66672385
bis(benzyl(triethyl)phosphanium);hydron;phosphate
CID 173244140
benzyl(tripropyl)phosphanium bromide
CID 68744786
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604
2-ethylbutylbenzene;methane
CID 158777195
dibenzyl-hexyl-propylphosphanium
CID 175204053
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
2-iodobutylbenzene
CID 11196235

Frequently Asked Questions

What is the IUPAC name of tribenzyl(ethyl)phosphanium?
The IUPAC name of tribenzyl(ethyl)phosphanium (CID 23415376) is tribenzyl(ethyl)phosphanium.
What is the SMILES notation for tribenzyl(ethyl)phosphanium?
The canonical SMILES for tribenzyl(ethyl)phosphanium is CC[P+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(ethyl)phosphanium?
The InChIKey is RIUPYZRJSJLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26P/c1-2-24(18-21-12-6-3-7-13-21,19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17H,2,18-20H2,1H3/q+1.
What are the key properties of tribenzyl(ethyl)phosphanium?
tribenzyl(ethyl)phosphanium has a molecular weight of 333.44 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(ethyl)phosphanium is sourced from PubChem (CID 23415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).