[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride

C6H21ClN4P2 — CID 22442079

IUPAC[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride
SMILESCN(C)P(=N[PH3+])(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C6H20N4P2.ClH/c1-8(2)12(7-11,9(3)4)10(5)6;/h11H2,1-6H3;1H
InChIKeyYFARCPCCIYZOLF-UHFFFAOYSA-N
MW246.66 g/mol
LogP-1.86
Rot. Bonds3

About [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride

[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride (PubChem CID 22442079) has the molecular formula C6H21ClN4P2 and a molecular weight of 246.66 g/mol. Its IUPAC name is [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride.

Molecular Properties

Compound Name[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride
PubChem CID22442079
Molecular FormulaC6H21ClN4P2
Molecular Weight246.66 g/mol
Exact Mass246.09
IUPAC Name[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride
SMILESCN(C)P(=N[PH3+])(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C6H20N4P2.ClH/c1-8(2)12(7-11,9(3)4)10(5)6;/h11H2,1-6H3;1H
InChIKeyYFARCPCCIYZOLF-UHFFFAOYSA-N
XLogP-1.86
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride?
The IUPAC name of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride (CID 22442079) is [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride.
What is the SMILES notation for [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride?
The canonical SMILES for [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride is CN(C)P(=N[PH3+])(N(C)C)N(C)C.[Cl-].
What is the InChIKey of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride?
The InChIKey is YFARCPCCIYZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20N4P2.ClH/c1-8(2)12(7-11,9(3)4)10(5)6;/h11H2,1-6H3;1H.
What are the key properties of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride?
[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride has a molecular weight of 246.66 g/mol, XLogP of -1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium chloride is sourced from PubChem (CID 22442079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).