tetrakis(benzonitrile);palladium(2+);dichloride

C28H20Cl2N4Pd — CID 173091067

IUPACtetrakis(benzonitrile);palladium(2+);dichloride
SMILESN#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/4C7H5N.2ClH.Pd/c4*8-6-7-4-2-1-3-5-7;;;/h4*1-5H;2*1H;/q;;;;;;+2/p-2
InChIKeyAORNFWLAIVMSOK-UHFFFAOYSA-L
MW589.82 g/mol
LogP0.24
Rot. Bonds

About tetrakis(benzonitrile);palladium(2+);dichloride

tetrakis(benzonitrile);palladium(2+);dichloride (PubChem CID 173091067) has the molecular formula C28H20Cl2N4Pd and a molecular weight of 589.82 g/mol. Its IUPAC name is tetrakis(benzonitrile);palladium(2+);dichloride.

Molecular Properties

Compound Nametetrakis(benzonitrile);palladium(2+);dichloride
PubChem CID173091067
Molecular FormulaC28H20Cl2N4Pd
Molecular Weight589.82 g/mol
Exact Mass588.01
IUPAC Nametetrakis(benzonitrile);palladium(2+);dichloride
SMILESN#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/4C7H5N.2ClH.Pd/c4*8-6-7-4-2-1-3-5-7;;;/h4*1-5H;2*1H;/q;;;;;;+2/p-2
InChIKeyAORNFWLAIVMSOK-UHFFFAOYSA-L
XLogP0.24
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.82
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(14N)benzonitrile
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sodium;benzonitrile;hydroxide
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benzonitrile;hydron;fluoride
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tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
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benzonitrile;hypoiodous acid
CID 174504508
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
sodium;benzonitrile;azide
CID 158967715
CID 134881879
CID 134881879
benzonitrile;sulfamide
CID 159924446
acetaldehyde;benzonitrile;hydrate
CID 174391399

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzonitrile);palladium(2+);dichloride?
The IUPAC name of tetrakis(benzonitrile);palladium(2+);dichloride (CID 173091067) is tetrakis(benzonitrile);palladium(2+);dichloride.
What is the SMILES notation for tetrakis(benzonitrile);palladium(2+);dichloride?
The canonical SMILES for tetrakis(benzonitrile);palladium(2+);dichloride is N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of tetrakis(benzonitrile);palladium(2+);dichloride?
The InChIKey is AORNFWLAIVMSOK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C7H5N.2ClH.Pd/c4*8-6-7-4-2-1-3-5-7;;;/h4*1-5H;2*1H;/q;;;;;;+2/p-2.
What are the key properties of tetrakis(benzonitrile);palladium(2+);dichloride?
tetrakis(benzonitrile);palladium(2+);dichloride has a molecular weight of 589.82 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzonitrile);palladium(2+);dichloride is sourced from PubChem (CID 173091067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).