palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate

C26H20B2F8N8Pd — CID 139142689

IUPACpalladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-c2cn(-c3ccccn3)nn2)cc1.c1ccc(-c2cn(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)12-10-17(16-15-12)13-8-4-5-9-14-13;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2
InChIKeyPKCJSWGKHWPLNZ-UHFFFAOYSA-N
MW724.53 g/mol
LogP7.26
Rot. Bonds4

About palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate

palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate (PubChem CID 139142689) has the molecular formula C26H20B2F8N8Pd and a molecular weight of 724.53 g/mol. Its IUPAC name is palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namepalladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate
PubChem CID139142689
Molecular FormulaC26H20B2F8N8Pd
Molecular Weight724.53 g/mol
Exact Mass724.09
IUPAC Namepalladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-c2cn(-c3ccccn3)nn2)cc1.c1ccc(-c2cn(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)12-10-17(16-15-12)13-8-4-5-9-14-13;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2
InChIKeyPKCJSWGKHWPLNZ-UHFFFAOYSA-N
XLogP7.26
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.53
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Copper;bis(2-(4-phenyltriazol-1-yl)pyridine);bis(trifluoromethanesulfonate);dihydrate
CID 139200431
1-Benzyl-4-phenylimidazole;iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 59800443
2-(Difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278202
2,3-Dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278214
2-[1-Fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2-fluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 123203190
2-[2-[5-[2-[2-[1,1-difluoro-2-(5H-imidazo[2,1-a]isoindol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,1-difluoroethyl]-5H-imidazo[2,1-a]isoindole
CID 123428996
2-[1,1-Difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 123659764
2-[1-fluoro-2-[5-[2-[2-[1-fluoro-2-(5H-imidazo[2,1-a]isoindol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-5H-imidazo[2,1-a]isoindole
CID 123701571
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775502
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1,1-difluoroethyl]-5H-imidazo[2,1-a]isoindole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2,2-difluoroethyl]-5H-imidazo[2,1-a]isoindole
CID 145612902
2-[1,1-Difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine;2-[2,2-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 145629748
2-(Difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158153013

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate?
The IUPAC name of palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate (CID 139142689) is palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate.
What is the SMILES notation for palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate?
The canonical SMILES for palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-c2cn(-c3ccccn3)nn2)cc1.c1ccc(-c2cn(-c3ccccn3)nn2)cc1.
What is the InChIKey of palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate?
The InChIKey is PKCJSWGKHWPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)12-10-17(16-15-12)13-8-4-5-9-14-13;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2.
What are the key properties of palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate?
palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate has a molecular weight of 724.53 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(2-(4-phenyltriazol-1-yl)pyridine);ditetrafluoroborate is sourced from PubChem (CID 139142689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).