4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)

C24H18N2OPd — CID 162451623

About 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)

4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) (PubChem CID 162451623) has the molecular formula C24H18N2OPd and a molecular weight of 456.84 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+).

Molecular Properties

• Compound Name: 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
• PubChem CID: 162451623
• Molecular Formula: C24H18N2OPd
• Molecular Weight: 456.84 g/mol
• Exact Mass: 456.05
• IUPAC Name: 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
• SMILES: Cc1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c(C)cc3)ccc2)c1.[Pd+2]
• InChI: InChI=1S/C24H18N2O.Pd/c1-17-11-13-26-24(14-17)19-6-5-7-20(15-19)27-21-10-9-18(2)22(16-21)23-8-3-4-12-25-23;/h3-14H,1-2H3;/q-2;+2
• InChIKey: ZYYVOUKCVHJVAD-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.84
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The IUPAC name of 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) (CID 162451623) is 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+).

What is the SMILES notation for 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The canonical SMILES for 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) is Cc1ccnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c(C)cc3)ccc2)c1.[Pd+2].

What is the InChIKey of 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The InChIKey is ZYYVOUKCVHJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O.Pd/c1-17-11-13-26-24(14-17)19-6-5-7-20(15-19)27-21-10-9-18(2)22(16-21)23-8-3-4-12-25-23;/h3-14H,1-2H3;/q-2;+2.

What are the key properties of 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) has a molecular weight of 456.84 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) is sourced from PubChem (CID 162451623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).