phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride

C20H21Cl2NP2 — CID 86757849

IUPACphosphanium;cyanomethyl(triphenyl)phosphanium;dichloride
SMILESN#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[PH4+]
InChIInChI=1S/C20H17NP.2ClH.H3P/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;;;/h1-15H,17H2;2*1H;1H3/q+1;;;/p-1
InChIKeyQPVKFNFZXIOMMC-UHFFFAOYSA-M
MW408.25 g/mol
LogP-2.70
Rot. Bonds4

About phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride

phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride (PubChem CID 86757849) has the molecular formula C20H21Cl2NP2 and a molecular weight of 408.25 g/mol. Its IUPAC name is phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride.

Molecular Properties

Compound Namephosphanium;cyanomethyl(triphenyl)phosphanium;dichloride
PubChem CID86757849
Molecular FormulaC20H21Cl2NP2
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC Namephosphanium;cyanomethyl(triphenyl)phosphanium;dichloride
SMILESN#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[PH4+]
InChIInChI=1S/C20H17NP.2ClH.H3P/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;;;/h1-15H,17H2;2*1H;1H3/q+1;;;/p-1
InChIKeyQPVKFNFZXIOMMC-UHFFFAOYSA-M
XLogP-2.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium diiodide
CID 71332519
triphenyl(prop-2-ynyl)phosphanium bromide
CID 2724214
4-cyanobutyl(triphenyl)phosphanium bromide
CID 11418829
[4-(2-cyanoethyl)phenyl]methyl-triphenylphosphanium chloride
CID 88504596
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
2-(4-cyanophenyl)ethyl-triphenylphosphanium chloride
CID 88504587
(3,3-dicyano-2-methylprop-2-enyl)-triphenylphosphanium
CID 139734338
aminomethyl(triphenyl)phosphanium
CID 155040126
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574

Frequently Asked Questions

What is the IUPAC name of phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride?
The IUPAC name of phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride (CID 86757849) is phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride.
What is the SMILES notation for phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride?
The canonical SMILES for phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride is N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[PH4+].
What is the InChIKey of phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride?
The InChIKey is QPVKFNFZXIOMMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17NP.2ClH.H3P/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;;;/h1-15H,17H2;2*1H;1H3/q+1;;;/p-1.
What are the key properties of phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride?
phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride has a molecular weight of 408.25 g/mol, XLogP of -2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride is sourced from PubChem (CID 86757849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).