benzyl(triphenyl)arsanium bromide

C25H22AsBr — CID 11145223

IUPACbenzyl(triphenyl)arsanium bromide
SMILES[Br-].c1ccc(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22As.BrH/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;1H/q+1;/p-1
InChIKeyASXPNOOASITCIF-UHFFFAOYSA-M
MW477.28 g/mol
LogP0.94
Rot. Bonds5

About benzyl(triphenyl)arsanium bromide

benzyl(triphenyl)arsanium bromide (PubChem CID 11145223) has the molecular formula C25H22AsBr and a molecular weight of 477.28 g/mol. Its IUPAC name is benzyl(triphenyl)arsanium bromide.

Molecular Properties

Compound Namebenzyl(triphenyl)arsanium bromide
PubChem CID11145223
Molecular FormulaC25H22AsBr
Molecular Weight477.28 g/mol
Exact Mass476.01
IUPAC Namebenzyl(triphenyl)arsanium bromide
SMILES[Br-].c1ccc(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22As.BrH/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;1H/q+1;/p-1
InChIKeyASXPNOOASITCIF-UHFFFAOYSA-M
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.28
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)arsanium bromide?
The IUPAC name of benzyl(triphenyl)arsanium bromide (CID 11145223) is benzyl(triphenyl)arsanium bromide.
What is the SMILES notation for benzyl(triphenyl)arsanium bromide?
The canonical SMILES for benzyl(triphenyl)arsanium bromide is [Br-].c1ccc(C[As+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)arsanium bromide?
The InChIKey is ASXPNOOASITCIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22As.BrH/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;1H/q+1;/p-1.
What are the key properties of benzyl(triphenyl)arsanium bromide?
benzyl(triphenyl)arsanium bromide has a molecular weight of 477.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)arsanium bromide is sourced from PubChem (CID 11145223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).