palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate

C32H50B2F8N24O9Pd — CID 139135327

About palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate

palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate (PubChem CID 139135327) has the molecular formula C32H50B2F8N24O9Pd and a molecular weight of 1194.94 g/mol. Its IUPAC name is palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate.

Molecular Properties

• Compound Name: palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate
• PubChem CID: 139135327
• Molecular Formula: C32H50B2F8N24O9Pd
• Molecular Weight: 1194.94 g/mol
• Exact Mass: 1194.33
• IUPAC Name: palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate
• SMILES: F[B-](F)(F)F.F[B-](F)(F)F.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.O.O.O.O.O.O.O.O.O.[Pd+2]
• InChI: InChI=1S/4C8H8N6.2BF4.9H2O.Pd/c4*9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5;2*2-1(3,4)5;;;;;;;;;;/h4*1-4H,(H4,9,10,12,13,14);;;9*1H2;/q;;;;2*-1;;;;;;;;;;+2
• InChIKey: JQFDHJDEUWGJLY-UHFFFAOYSA-N
• XLogP: -4.43
• TPSA: 697.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.94
LogP ≤ 5	-4.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate?

The IUPAC name of palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate (CID 139135327) is palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate.

What is the SMILES notation for palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate?

The canonical SMILES for palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate is F[B-](F)(F)F.F[B-](F)(F)F.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.Nc1nc(N)nc(-c2ccncc2)n1.O.O.O.O.O.O.O.O.O.[Pd+2].

What is the InChIKey of palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate?

The InChIKey is JQFDHJDEUWGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H8N6.2BF4.9H2O.Pd/c4*9-7-12-6(13-8(10)14-7)5-1-3-11-4-2-5;2*2-1(3,4)5;;;;;;;;;;/h4*1-4H,(H4,9,10,12,13,14);;;9*1H2;/q;;;;2*-1;;;;;;;;;;+2.

What are the key properties of palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate?

palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate has a molecular weight of 1194.94 g/mol, XLogP of -4.43, 4 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for palladium(2+);tetrakis(6-pyridin-4-yl-1,3,5-triazine-2,4-diamine);ditetrafluoroborate;nonahydrate is sourced from PubChem (CID 139135327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).