benzyl-(2-phenacylphenyl)-diphenylphosphanium

C33H28OP+ — CID 174822007

IUPACbenzyl-(2-phenacylphenyl)-diphenylphosphanium
SMILESO=C(Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28OP/c34-32(28-17-7-2-8-18-28)25-29-19-13-14-24-33(29)35(30-20-9-3-10-21-30,31-22-11-4-12-23-31)26-27-15-5-1-6-16-27/h1-24H,25-26H2/q+1
InChIKeyDUWSLRXGOZCLRY-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.61
Rot. Bonds8

About benzyl-(2-phenacylphenyl)-diphenylphosphanium

benzyl-(2-phenacylphenyl)-diphenylphosphanium (PubChem CID 174822007) has the molecular formula C33H28OP+ and a molecular weight of 471.56 g/mol. Its IUPAC name is benzyl-(2-phenacylphenyl)-diphenylphosphanium.

Molecular Properties

Compound Namebenzyl-(2-phenacylphenyl)-diphenylphosphanium
PubChem CID174822007
Molecular FormulaC33H28OP+
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Namebenzyl-(2-phenacylphenyl)-diphenylphosphanium
SMILESO=C(Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28OP/c34-32(28-17-7-2-8-18-28)25-29-19-13-14-24-33(29)35(30-20-9-3-10-21-30,31-22-11-4-12-23-31)26-27-15-5-1-6-16-27/h1-24H,25-26H2/q+1
InChIKeyDUWSLRXGOZCLRY-UHFFFAOYSA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[2-[2-(4-fluorophenyl)ethyl]phenyl]-diphenylphosphanium
CID 172713249
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium
CID 101247820
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
(2-phenacyloxyphenyl)methyl-triphenylphosphanium
CID 172741164
1,2-diphenylethanone;diphenylmethanone
CID 141067729
benzyl-(2-hydroxy-4-methoxycarbonylphenyl)-diphenylphosphanium
CID 22376767
naphthalen-1-yl-phenacyl-diphenylphosphanium
CID 139734884

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-phenacylphenyl)-diphenylphosphanium?
The IUPAC name of benzyl-(2-phenacylphenyl)-diphenylphosphanium (CID 174822007) is benzyl-(2-phenacylphenyl)-diphenylphosphanium.
What is the SMILES notation for benzyl-(2-phenacylphenyl)-diphenylphosphanium?
The canonical SMILES for benzyl-(2-phenacylphenyl)-diphenylphosphanium is O=C(Cc1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-(2-phenacylphenyl)-diphenylphosphanium?
The InChIKey is DUWSLRXGOZCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28OP/c34-32(28-17-7-2-8-18-28)25-29-19-13-14-24-33(29)35(30-20-9-3-10-21-30,31-22-11-4-12-23-31)26-27-15-5-1-6-16-27/h1-24H,25-26H2/q+1.
What are the key properties of benzyl-(2-phenacylphenyl)-diphenylphosphanium?
benzyl-(2-phenacylphenyl)-diphenylphosphanium has a molecular weight of 471.56 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-phenacylphenyl)-diphenylphosphanium is sourced from PubChem (CID 174822007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).