arsane;benzyl(triphenyl)phosphanium;chloride

C25H25AsClP — CID 174558543

IUPACarsane;benzyl(triphenyl)phosphanium;chloride
SMILES[AsH3].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.AsH3.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H3;1H/q+1;;/p-1
InChIKeyXISBLCKYFWSJDP-UHFFFAOYSA-M
MW466.82 g/mol
LogP1.00
Rot. Bonds5

About arsane;benzyl(triphenyl)phosphanium;chloride

arsane;benzyl(triphenyl)phosphanium;chloride (PubChem CID 174558543) has the molecular formula C25H25AsClP and a molecular weight of 466.82 g/mol. Its IUPAC name is arsane;benzyl(triphenyl)phosphanium;chloride.

Molecular Properties

Compound Namearsane;benzyl(triphenyl)phosphanium;chloride
PubChem CID174558543
Molecular FormulaC25H25AsClP
Molecular Weight466.82 g/mol
Exact Mass466.06
IUPAC Namearsane;benzyl(triphenyl)phosphanium;chloride
SMILES[AsH3].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.AsH3.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H3;1H/q+1;;/p-1
InChIKeyXISBLCKYFWSJDP-UHFFFAOYSA-M
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.82
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
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[4-(2-cyanoethyl)phenyl]methyl-triphenylphosphanium chloride
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Frequently Asked Questions

What is the IUPAC name of arsane;benzyl(triphenyl)phosphanium;chloride?
The IUPAC name of arsane;benzyl(triphenyl)phosphanium;chloride (CID 174558543) is arsane;benzyl(triphenyl)phosphanium;chloride.
What is the SMILES notation for arsane;benzyl(triphenyl)phosphanium;chloride?
The canonical SMILES for arsane;benzyl(triphenyl)phosphanium;chloride is [AsH3].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of arsane;benzyl(triphenyl)phosphanium;chloride?
The InChIKey is XISBLCKYFWSJDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P.AsH3.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H,21H2;1H3;1H/q+1;;/p-1.
What are the key properties of arsane;benzyl(triphenyl)phosphanium;chloride?
arsane;benzyl(triphenyl)phosphanium;chloride has a molecular weight of 466.82 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for arsane;benzyl(triphenyl)phosphanium;chloride is sourced from PubChem (CID 174558543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).