tris(bis(dimethylamino)phosphanium);trichloride

C12H42Cl3N6P3 — CID 160592328

IUPACtris(bis(dimethylamino)phosphanium);trichloride
SMILESCN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3C4H13N2P.3ClH/c3*1-5(2)7-6(3)4;;;/h3*7H,1-4H3;3*1H
InChIKeyLYNNGCQPUXWNPT-UHFFFAOYSA-N
MW469.79 g/mol
LogP-7.94
Rot. Bonds6

About tris(bis(dimethylamino)phosphanium);trichloride

tris(bis(dimethylamino)phosphanium);trichloride (PubChem CID 160592328) has the molecular formula C12H42Cl3N6P3 and a molecular weight of 469.79 g/mol. Its IUPAC name is tris(bis(dimethylamino)phosphanium);trichloride.

Molecular Properties

Compound Nametris(bis(dimethylamino)phosphanium);trichloride
PubChem CID160592328
Molecular FormulaC12H42Cl3N6P3
Molecular Weight469.79 g/mol
Exact Mass468.17
IUPAC Nametris(bis(dimethylamino)phosphanium);trichloride
SMILESCN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3C4H13N2P.3ClH/c3*1-5(2)7-6(3)4;;;/h3*7H,1-4H3;3*1H
InChIKeyLYNNGCQPUXWNPT-UHFFFAOYSA-N
XLogP-7.94
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.79
LogP ≤ 5-7.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(bis(dimethylamino)phosphanium);trichloride?
The IUPAC name of tris(bis(dimethylamino)phosphanium);trichloride (CID 160592328) is tris(bis(dimethylamino)phosphanium);trichloride.
What is the SMILES notation for tris(bis(dimethylamino)phosphanium);trichloride?
The canonical SMILES for tris(bis(dimethylamino)phosphanium);trichloride is CN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.CN(C)[PH2+]N(C)C.[Cl-].[Cl-].[Cl-].
What is the InChIKey of tris(bis(dimethylamino)phosphanium);trichloride?
The InChIKey is LYNNGCQPUXWNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H13N2P.3ClH/c3*1-5(2)7-6(3)4;;;/h3*7H,1-4H3;3*1H.
What are the key properties of tris(bis(dimethylamino)phosphanium);trichloride?
tris(bis(dimethylamino)phosphanium);trichloride has a molecular weight of 469.79 g/mol, XLogP of -7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(dimethylamino)phosphanium);trichloride is sourced from PubChem (CID 160592328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).