acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine

C49H42N4O6Pd2 — CID 157368741

About acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine

acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine (PubChem CID 157368741) has the molecular formula C49H42N4O6Pd2 and a molecular weight of 995.74 g/mol. Its IUPAC name is acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine.

Molecular Properties

• Compound Name: acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
• PubChem CID: 157368741
• Molecular Formula: C49H42N4O6Pd2
• Molecular Weight: 995.74 g/mol
• Exact Mass: 994.12
• IUPAC Name: acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
• SMILES: C.CC(=O)O.CC(=O)O.[Pd+2].[Pd].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1-c1ccccn1.c1ccc(-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)nc1
• InChI: InChI=1S/C22H16N2O.C22H14N2O.2C2H4O2.CH4.2Pd/c2*1-3-13-23-21(11-1)17-7-5-9-19(15-17)25-20-10-6-8-18(16-20)22-12-2-4-14-24-22;2*1-2(3)4;;;/h1-16H;1-14H;2*1H3,(H,3,4);1H4;;/q;-2;;;;;+2
• InChIKey: KOOVYDIWKGERJC-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 144.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.74
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?

The IUPAC name of acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine (CID 157368741) is acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine.

What is the SMILES notation for acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?

The canonical SMILES for acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine is C.CC(=O)O.CC(=O)O.[Pd+2].[Pd].[c-]1c(Oc2[c-]c(-c3ccccn3)ccc2)cccc1-c1ccccn1.c1ccc(-c2cccc(Oc3cccc(-c4ccccn4)c3)c2)nc1.

What is the InChIKey of acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?

The InChIKey is KOOVYDIWKGERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O.C22H14N2O.2C2H4O2.CH4.2Pd/c2*1-3-13-23-21(11-1)17-7-5-9-19(15-17)25-20-10-6-8-18(16-20)22-12-2-4-14-24-22;2*1-2(3)4;;;/h1-16H;1-14H;2*1H3,(H,3,4);1H4;;/q;-2;;;;;+2.

What are the key properties of acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine?

acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine has a molecular weight of 995.74 g/mol, XLogP of 11.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine is sourced from PubChem (CID 157368741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).