2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))

C46H40N8O4Pd2 — CID 160980372

About 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))

2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)) (PubChem CID 160980372) has the molecular formula C46H40N8O4Pd2 and a molecular weight of 981.72 g/mol. Its IUPAC name is 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)).

Molecular Properties

• Compound Name: 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))
• PubChem CID: 160980372
• Molecular Formula: C46H40N8O4Pd2
• Molecular Weight: 981.72 g/mol
• Exact Mass: 980.12
• IUPAC Name: 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))
• SMILES: Cc1cc(-c2[c-]c(Oc3nc(Oc4ccccn4)c(C)cc3C)c(C)cc2C)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]c(Oc4ccccn4)c(C)cc3C)n2)[n-]n1.[Pd+2].[Pd+2]
• InChI: InChI=1S/C24H22N4O2.C22H18N4O2.2Pd/c1-14-10-15(2)21(13-19(14)20-12-18(5)27-28-20)29-23-16(3)11-17(4)24(26-23)30-22-8-6-7-9-25-22;1-14-11-15(2)20(13-19(14)27-21-8-4-5-10-23-21)28-22-9-6-7-17(24-22)18-12-16(3)25-26-18;;/h6-12H,1-5H3;4-12H,1-3H3;;/q2*-2;2*+2
• InChIKey: WNSCUDOHKNGXIE-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 142.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.72
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))?

The IUPAC name of 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)) (CID 160980372) is 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)).

What is the SMILES notation for 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))?

The canonical SMILES for 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)) is Cc1cc(-c2[c-]c(Oc3nc(Oc4ccccn4)c(C)cc3C)c(C)cc2C)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]c(Oc4ccccn4)c(C)cc3C)n2)[n-]n1.[Pd+2].[Pd+2].

What is the InChIKey of 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))?

The InChIKey is WNSCUDOHKNGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2.C22H18N4O2.2Pd/c1-14-10-15(2)21(13-19(14)20-12-18(5)27-28-20)29-23-16(3)11-17(4)24(26-23)30-22-8-6-7-9-25-22;1-14-11-15(2)20(13-19(14)27-21-8-4-5-10-23-21)28-22-9-6-7-17(24-22)18-12-16(3)25-26-18;;/h6-12H,1-5H3;4-12H,1-3H3;;/q2*-2;2*+2.

What are the key properties of 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+))?

2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)) has a molecular weight of 981.72 g/mol, XLogP of 10.22, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dimethyl-5-(5-methylpyrazol-2-id-3-yl)benzene-6-id-1-yl]oxy-3,5-dimethyl-6-pyridin-2-yloxypyridine;2-(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;bis(palladium(2+)) is sourced from PubChem (CID 160980372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).