2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)

C₂₂H₁₇N₃O₂Pt — CID 140695794

About 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)

2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) (PubChem CID 140695794) has the molecular formula C₂₂H₁₇N₃O₂Pt and a molecular weight of 550.48 g/mol. Its IUPAC name is 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)
• PubChem CID: 140695794
• Molecular Formula: C₂₂H₁₇N₃O₂Pt
• Molecular Weight: 550.48 g/mol
• Exact Mass: 550.10
• IUPAC Name: 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)
• SMILES: Cc1cn(C)c(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C22H17N3O2.Pt/c1-16-15-25(2)22(24-16)17-7-5-8-18(13-17)26-19-9-6-10-20(14-19)27-21-11-3-4-12-23-21;/h3-12,15H,1-2H3;/q-2;+2
• InChIKey: NRKCKVDXNQBXCA-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.48
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?

The IUPAC name of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) (CID 140695794) is 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+).

What is the SMILES notation for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?

The canonical SMILES for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) is Cc1cn(C)c(-c2[c-]c(Oc3[c-]c(Oc4ccccn4)ccc3)ccc2)n1.[Pt+2].

What is the InChIKey of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?

The InChIKey is NRKCKVDXNQBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.Pt/c1-16-15-25(2)22(24-16)17-7-5-8-18(13-17)26-19-9-6-10-20(14-19)27-21-11-3-4-12-23-21;/h3-12,15H,1-2H3;/q-2;+2.

What are the key properties of 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+)?

2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) has a molecular weight of 550.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(1,4-dimethylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;platinum(2+) is sourced from PubChem (CID 140695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140695794 — identifiers, structure, computed properties (public domain)

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