dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride

C28H28Cl2N2SiZr-2 — CID 158520040

About dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride

dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride (PubChem CID 158520040) has the molecular formula C28H28Cl2N2SiZr-2 and a molecular weight of 582.76 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride
• PubChem CID: 158520040
• Molecular Formula: C28H28Cl2N2SiZr-2
• Molecular Weight: 582.76 g/mol
• Exact Mass: 580.05
• IUPAC Name: dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride
• SMILES: C[Si](C)=[Zr+2].C[c-]1cccc1.Cc1cc2c(-c3ccccn3)cc(-c3ccccn3)cc2[cH-]1.[Cl-].[Cl-]
• InChI: InChI=1S/C20H15N2.C6H7.C2H6Si.2ClH.Zr/c1-14-10-15-12-16(19-6-2-4-8-21-19)13-18(17(15)11-14)20-7-3-5-9-22-20;1-6-4-2-3-5-6;1-3-2;;;/h2-13H,1H3;2-5H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: LZEPOWKCMYQXHD-UHFFFAOYSA-L
• XLogP: 1.50
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.76
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride?

The IUPAC name of dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride (CID 158520040) is dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride.

What is the SMILES notation for dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride?

The canonical SMILES for dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride is C[Si](C)=[Zr+2].C[c-]1cccc1.Cc1cc2c(-c3ccccn3)cc(-c3ccccn3)cc2[cH-]1.[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride?

The InChIKey is LZEPOWKCMYQXHD-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H15N2.C6H7.C2H6Si.2ClH.Zr/c1-14-10-15-12-16(19-6-2-4-8-21-19)13-18(17(15)11-14)20-7-3-5-9-22-20;1-6-4-2-3-5-6;1-3-2;;;/h2-13H,1H3;2-5H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride?

dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride has a molecular weight of 582.76 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);5-methylcyclopenta-1,3-diene;2-(2-methyl-6-pyridin-2-yl-1H-inden-1-id-4-yl)pyridine;dichloride is sourced from PubChem (CID 158520040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).