phosphanium;tris(triphenylphosphane);chloride

C54H49ClP4 — CID 160938283

IUPACphosphanium;tris(triphenylphosphane);chloride
SMILES[Cl-].[PH4+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.ClH.H3P/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;1H3
InChIKeyOINYBAWHLOYIGR-UHFFFAOYSA-N
MW857.34 g/mol
LogP7.13
Rot. Bonds9

About phosphanium;tris(triphenylphosphane);chloride

phosphanium;tris(triphenylphosphane);chloride (PubChem CID 160938283) has the molecular formula C54H49ClP4 and a molecular weight of 857.34 g/mol. Its IUPAC name is phosphanium;tris(triphenylphosphane);chloride.

Molecular Properties

Compound Namephosphanium;tris(triphenylphosphane);chloride
PubChem CID160938283
Molecular FormulaC54H49ClP4
Molecular Weight857.34 g/mol
Exact Mass856.25
IUPAC Namephosphanium;tris(triphenylphosphane);chloride
SMILES[Cl-].[PH4+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15P.ClH.H3P/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;1H3
InChIKeyOINYBAWHLOYIGR-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.34
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ruthenium(2+);triphenylphosphane;chloride
CID 56645241
triphenylphosphane
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rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
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Frequently Asked Questions

What is the IUPAC name of phosphanium;tris(triphenylphosphane);chloride?
The IUPAC name of phosphanium;tris(triphenylphosphane);chloride (CID 160938283) is phosphanium;tris(triphenylphosphane);chloride.
What is the SMILES notation for phosphanium;tris(triphenylphosphane);chloride?
The canonical SMILES for phosphanium;tris(triphenylphosphane);chloride is [Cl-].[PH4+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phosphanium;tris(triphenylphosphane);chloride?
The InChIKey is OINYBAWHLOYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15P.ClH.H3P/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;1H3.
What are the key properties of phosphanium;tris(triphenylphosphane);chloride?
phosphanium;tris(triphenylphosphane);chloride has a molecular weight of 857.34 g/mol, XLogP of 7.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium;tris(triphenylphosphane);chloride is sourced from PubChem (CID 160938283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).