bis(tris(dimethylamino)phosphanium) dichloride

C12H38Cl2N6P2 — CID 157299115

IUPACbis(tris(dimethylamino)phosphanium) dichloride
SMILESCN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.[Cl-].[Cl-]
InChIInChI=1S/2C6H18N3P.2ClH/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;2*1H
InChIKeyBBRMMOYJLZHBRR-UHFFFAOYSA-N
MW399.33 g/mol
LogP-4.73
Rot. Bonds6

About bis(tris(dimethylamino)phosphanium) dichloride

bis(tris(dimethylamino)phosphanium) dichloride (PubChem CID 157299115) has the molecular formula C12H38Cl2N6P2 and a molecular weight of 399.33 g/mol. Its IUPAC name is bis(tris(dimethylamino)phosphanium) dichloride.

Molecular Properties

Compound Namebis(tris(dimethylamino)phosphanium) dichloride
PubChem CID157299115
Molecular FormulaC12H38Cl2N6P2
Molecular Weight399.33 g/mol
Exact Mass398.20
IUPAC Namebis(tris(dimethylamino)phosphanium) dichloride
SMILESCN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.[Cl-].[Cl-]
InChIInChI=1S/2C6H18N3P.2ClH/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;2*1H
InChIKeyBBRMMOYJLZHBRR-UHFFFAOYSA-N
XLogP-4.73
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 5-4.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(tris(dimethylamino)phosphanium) dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(tris(dimethylamino)phosphanium) dichloride?
The IUPAC name of bis(tris(dimethylamino)phosphanium) dichloride (CID 157299115) is bis(tris(dimethylamino)phosphanium) dichloride.
What is the SMILES notation for bis(tris(dimethylamino)phosphanium) dichloride?
The canonical SMILES for bis(tris(dimethylamino)phosphanium) dichloride is CN(C)[PH+](N(C)C)N(C)C.CN(C)[PH+](N(C)C)N(C)C.[Cl-].[Cl-].
What is the InChIKey of bis(tris(dimethylamino)phosphanium) dichloride?
The InChIKey is BBRMMOYJLZHBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H18N3P.2ClH/c2*1-7(2)10(8(3)4)9(5)6;;/h2*1-6H3;2*1H.
What are the key properties of bis(tris(dimethylamino)phosphanium) dichloride?
bis(tris(dimethylamino)phosphanium) dichloride has a molecular weight of 399.33 g/mol, XLogP of -4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tris(dimethylamino)phosphanium) dichloride is sourced from PubChem (CID 157299115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).