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

C26H20B2F8N8Pd — CID 139135874

IUPACpalladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-n2cc(-c3ccccn3)nn2)cc1.c1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2
InChIKeyVJECPEMJNTTZNN-UHFFFAOYSA-N
MW724.53 g/mol
LogP7.26
Rot. Bonds4

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

palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate (PubChem CID 139135874) has the molecular formula C26H20B2F8N8Pd and a molecular weight of 724.53 g/mol. Its IUPAC name is palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namepalladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate
PubChem CID139135874
Molecular FormulaC26H20B2F8N8Pd
Molecular Weight724.53 g/mol
Exact Mass724.09
IUPAC Namepalladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-n2cc(-c3ccccn3)nn2)cc1.c1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2
InChIKeyVJECPEMJNTTZNN-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'}

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

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Bis[3-trifluoromethyl-5-(2-pyridyl)pyrazolato]platinum
CID 140606026
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140628379
Bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)
CID 140795516
2-(4-Fluoropyrrol-1-id-2-yl)pyridine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140819784
Cobalt;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 144884399
Bis[3-(2-pyridyl)pyrazolato]palladium(II)
CID 139056007

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate?
The IUPAC name of palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate (CID 139135874) is palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate.
What is the SMILES notation for palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate?
The canonical SMILES for palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].c1ccc(-n2cc(-c3ccccn3)nn2)cc1.c1ccc(-n2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate?
The InChIKey is VJECPEMJNTTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10N4.2BF4.Pd/c2*1-2-6-11(7-3-1)17-10-13(15-16-17)12-8-4-5-9-14-12;2*2-1(3,4)5;/h2*1-10H;;;/q;;2*-1;+2.
What are the key properties of palladium(2+);bis(2-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate?
palladium(2+);bis(2-(1-phenyltriazol-4-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-(1-phenyltriazol-4-yl)pyridine);ditetrafluoroborate is sourced from PubChem (CID 139135874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).