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

C6H21BrN4P2 — CID 23061570

IUPAC[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide
SMILESCN(C)P(=N[PH3+])(N(C)C)N(C)C.[Br-]
InChIInChI=1S/C6H20N4P2.BrH/c1-8(2)12(7-11,9(3)4)10(5)6;/h11H2,1-6H3;1H
InChIKeyRURNZUPSSZPMSH-UHFFFAOYSA-N
MW291.11 g/mol
LogP-1.86
Rot. Bonds3

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

[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide (PubChem CID 23061570) has the molecular formula C6H21BrN4P2 and a molecular weight of 291.11 g/mol. Its IUPAC name is [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide.

Molecular Properties

Compound Name[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide
PubChem CID23061570
Molecular FormulaC6H21BrN4P2
Molecular Weight291.11 g/mol
Exact Mass290.04
IUPAC Name[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide
SMILESCN(C)P(=N[PH3+])(N(C)C)N(C)C.[Br-]
InChIInChI=1S/C6H20N4P2.BrH/c1-8(2)12(7-11,9(3)4)10(5)6;/h11H2,1-6H3;1H
InChIKeyRURNZUPSSZPMSH-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 ≤ 500291.11
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide with MolForge

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

Launch Full Analysis

Related Compounds

Phosphorimidic triamide, heptamethyl-
CID 10877979
Phosphinophosphazene
CID 17771054
N-[bis(dimethylamino)-fluorophosphanylimino-lambda5-phosphanyl]-N-methylmethanamine
CID 89516871
[Tris(dimethylamino)-fluoro-lambda5-phosphanyl]iminophosphanium
CID 175882421
(Pyr)3P=N-P(Pyr)2Br2 (1)
CID 139184432
N-[bis(dimethylamino)-fluoro-(phosphanylideneamino)-lambda5-phosphanyl]-N-methylmethanamine
CID 175882422
N-[dimethylamino-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]phosphanyl]-N-methylmethanamine
CID 13303687
N-methyl-N-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]phosphanylmethanamine
CID 16701461
[[Tris(dimethylamino)-lambda5-phosphanylidene]amino]phosphanium hydroxide
CID 17771056
[[Tris(dimethylamino)-lambda5-phosphanylidene]amino]phosphanium fluoride
CID 17793725
[[Tris(dimethylamino)-lambda5-phosphanylidene]amino]phosphanium
CID 21265058
N-[bis(dimethylamino)phosphanyliminophosphanyl]-N-methylmethanamine
CID 22336024

Frequently Asked Questions

What is the IUPAC name of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide?
The IUPAC name of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide (CID 23061570) is [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide.
What is the SMILES notation for [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide?
The canonical SMILES for [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide is CN(C)P(=N[PH3+])(N(C)C)N(C)C.[Br-].
What is the InChIKey of [[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide?
The InChIKey is RURNZUPSSZPMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20N4P2.BrH/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 bromide?
[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium bromide has a molecular weight of 291.11 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 bromide is sourced from PubChem (CID 23061570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).