phenyl-bis[4-(trichloromethyl)phenyl]phosphane

C20H13Cl6P — CID 56997269

IUPACphenyl-bis[4-(trichloromethyl)phenyl]phosphane
SMILESClC(Cl)(Cl)c1ccc(P(c2ccccc2)c2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C20H13Cl6P/c21-19(22,23)14-6-10-17(11-7-14)27(16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(24,25)26/h1-13H
InChIKeyHPWFMHQJEYFHIW-UHFFFAOYSA-N
MW497.02 g/mol
LogP7.10
Rot. Bonds3

About phenyl-bis[4-(trichloromethyl)phenyl]phosphane

phenyl-bis[4-(trichloromethyl)phenyl]phosphane (PubChem CID 56997269) has the molecular formula C20H13Cl6P and a molecular weight of 497.02 g/mol. Its IUPAC name is phenyl-bis[4-(trichloromethyl)phenyl]phosphane.

Molecular Properties

Compound Namephenyl-bis[4-(trichloromethyl)phenyl]phosphane
PubChem CID56997269
Molecular FormulaC20H13Cl6P
Molecular Weight497.02 g/mol
Exact Mass493.89
IUPAC Namephenyl-bis[4-(trichloromethyl)phenyl]phosphane
SMILESClC(Cl)(Cl)c1ccc(P(c2ccccc2)c2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C20H13Cl6P/c21-19(22,23)14-6-10-17(11-7-14)27(16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(24,25)26/h1-13H
InChIKeyHPWFMHQJEYFHIW-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 57.10
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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Related Compounds

triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of phenyl-bis[4-(trichloromethyl)phenyl]phosphane?
The IUPAC name of phenyl-bis[4-(trichloromethyl)phenyl]phosphane (CID 56997269) is phenyl-bis[4-(trichloromethyl)phenyl]phosphane.
What is the SMILES notation for phenyl-bis[4-(trichloromethyl)phenyl]phosphane?
The canonical SMILES for phenyl-bis[4-(trichloromethyl)phenyl]phosphane is ClC(Cl)(Cl)c1ccc(P(c2ccccc2)c2ccc(C(Cl)(Cl)Cl)cc2)cc1.
What is the InChIKey of phenyl-bis[4-(trichloromethyl)phenyl]phosphane?
The InChIKey is HPWFMHQJEYFHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl6P/c21-19(22,23)14-6-10-17(11-7-14)27(16-4-2-1-3-5-16)18-12-8-15(9-13-18)20(24,25)26/h1-13H.
What are the key properties of phenyl-bis[4-(trichloromethyl)phenyl]phosphane?
phenyl-bis[4-(trichloromethyl)phenyl]phosphane has a molecular weight of 497.02 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[4-(trichloromethyl)phenyl]phosphane is sourced from PubChem (CID 56997269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).