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

C28H20B2F8N4Pd — CID 14290399

IUPACtetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2]
InChIInChI=1S/4C7H5N.2BF4.Pd/c4*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h4*1-5H;;;/q;;;;2*-1;+2
InChIKeyUOUZKQYQFWIPJW-UHFFFAOYSA-N
MW692.52 g/mol
LogP8.83
Rot. Bonds

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

tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate (PubChem CID 14290399) has the molecular formula C28H20B2F8N4Pd and a molecular weight of 692.52 g/mol. Its IUPAC name is tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate.

Molecular Properties

Compound Nametetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
PubChem CID14290399
Molecular FormulaC28H20B2F8N4Pd
Molecular Weight692.52 g/mol
Exact Mass692.08
IUPAC Nametetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2]
InChIInChI=1S/4C7H5N.2BF4.Pd/c4*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h4*1-5H;;;/q;;;;2*-1;+2
InChIKeyUOUZKQYQFWIPJW-UHFFFAOYSA-N
XLogP8.83
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.52
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 11982199
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
(14N)benzonitrile
CID 102268532
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
benzonitrile;platinum(2+);trifluoromethane;bis(triphenylphosphane);tetrafluoroborate
CID 10996681
benzonitrile;hypoiodous acid
CID 174504508
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
bis(benzonitrile);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+);ditetrafluoroborate
CID 11320626
sodium;benzonitrile;azide
CID 158967715

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate?
The IUPAC name of tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate (CID 14290399) is tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate.
What is the SMILES notation for tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate?
The canonical SMILES for tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2].
What is the InChIKey of tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate?
The InChIKey is UOUZKQYQFWIPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H5N.2BF4.Pd/c4*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h4*1-5H;;;/q;;;;2*-1;+2.
What are the key properties of tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate?
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate has a molecular weight of 692.52 g/mol, XLogP of 8.83, 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+);ditetrafluoroborate is sourced from PubChem (CID 14290399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).