2-diphenylarsanylethyl-methyl-diphenylphosphanium

C27H27AsP+ — CID 88698614

IUPAC2-diphenylarsanylethyl-methyl-diphenylphosphanium
SMILESC[P+](CC[As](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27AsP/c1-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)23-22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21H,22-23H2,1H3/q+1
InChIKeyGNXGOIDRPFUDIX-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.59
Rot. Bonds7

About 2-diphenylarsanylethyl-methyl-diphenylphosphanium

2-diphenylarsanylethyl-methyl-diphenylphosphanium (PubChem CID 88698614) has the molecular formula C27H27AsP+ and a molecular weight of 457.41 g/mol. Its IUPAC name is 2-diphenylarsanylethyl-methyl-diphenylphosphanium.

Molecular Properties

Compound Name2-diphenylarsanylethyl-methyl-diphenylphosphanium
PubChem CID88698614
Molecular FormulaC27H27AsP+
Molecular Weight457.41 g/mol
Exact Mass457.11
IUPAC Name2-diphenylarsanylethyl-methyl-diphenylphosphanium
SMILESC[P+](CC[As](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27AsP/c1-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)23-22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21H,22-23H2,1H3/q+1
InChIKeyGNXGOIDRPFUDIX-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.59
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'}

Analyze 2-diphenylarsanylethyl-methyl-diphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium
CID 20802278
triphenyl(5-triphenylstannylhexan-2-yl)stannane
CID 162182753
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
methyl-phenyl-dipropylphosphanium
CID 70584071
(2R)-4-phenylbutane-2-thiol
CID 28974861
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
ethyl-methyl-phenyl-propylphosphanium
CID 2785204
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
trimethyl(2-phenylethyl)phosphanium
CID 10777798
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696

Frequently Asked Questions

What is the IUPAC name of 2-diphenylarsanylethyl-methyl-diphenylphosphanium?
The IUPAC name of 2-diphenylarsanylethyl-methyl-diphenylphosphanium (CID 88698614) is 2-diphenylarsanylethyl-methyl-diphenylphosphanium.
What is the SMILES notation for 2-diphenylarsanylethyl-methyl-diphenylphosphanium?
The canonical SMILES for 2-diphenylarsanylethyl-methyl-diphenylphosphanium is C[P+](CC[As](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylarsanylethyl-methyl-diphenylphosphanium?
The InChIKey is GNXGOIDRPFUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27AsP/c1-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)23-22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21H,22-23H2,1H3/q+1.
What are the key properties of 2-diphenylarsanylethyl-methyl-diphenylphosphanium?
2-diphenylarsanylethyl-methyl-diphenylphosphanium has a molecular weight of 457.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylarsanylethyl-methyl-diphenylphosphanium is sourced from PubChem (CID 88698614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).