triphenyl(trichloromethyl)phosphanium

C19H15Cl3P+ — CID 23415418

IUPACtriphenyl(trichloromethyl)phosphanium
SMILESClC(Cl)(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl3P/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
InChIKeySKNQYGIVMQHPAU-UHFFFAOYSA-N
MW380.66 g/mol
LogP5.31
Rot. Bonds3

About triphenyl(trichloromethyl)phosphanium

triphenyl(trichloromethyl)phosphanium (PubChem CID 23415418) has the molecular formula C19H15Cl3P+ and a molecular weight of 380.66 g/mol. Its IUPAC name is triphenyl(trichloromethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(trichloromethyl)phosphanium
PubChem CID23415418
Molecular FormulaC19H15Cl3P+
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Nametriphenyl(trichloromethyl)phosphanium
SMILESClC(Cl)(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15Cl3P/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1
InChIKeySKNQYGIVMQHPAU-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(trichloromethyl)phosphanium?
The IUPAC name of triphenyl(trichloromethyl)phosphanium (CID 23415418) is triphenyl(trichloromethyl)phosphanium.
What is the SMILES notation for triphenyl(trichloromethyl)phosphanium?
The canonical SMILES for triphenyl(trichloromethyl)phosphanium is ClC(Cl)(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(trichloromethyl)phosphanium?
The InChIKey is SKNQYGIVMQHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3P/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H/q+1.
What are the key properties of triphenyl(trichloromethyl)phosphanium?
triphenyl(trichloromethyl)phosphanium has a molecular weight of 380.66 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(trichloromethyl)phosphanium is sourced from PubChem (CID 23415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).