dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride

C38H44Cl2Si3Zr-2 — CID 161496746

About dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride

dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride (PubChem CID 161496746) has the molecular formula C38H44Cl2Si3Zr-2 and a molecular weight of 747.16 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
• PubChem CID: 161496746
• Molecular Formula: C38H44Cl2Si3Zr-2
• Molecular Weight: 747.16 g/mol
• Exact Mass: 744.12
• IUPAC Name: dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
• SMILES: C[Si](C)(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/2C18H19Si.C2H6Si.2ClH.Zr/c2*1-19(2,3)16-12-15-10-7-11-17(18(15)13-16)14-8-5-4-6-9-14;1-3-2;;;/h2*4-13H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: JNIVTFDDUCWGCP-UHFFFAOYSA-L
• XLogP: 4.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.16
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride?

The IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride (CID 161496746) is dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride.

What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride?

The canonical SMILES for dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride is C[Si](C)(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)(C)c1cc2c(-c3ccccc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride?

The InChIKey is JNIVTFDDUCWGCP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H19Si.C2H6Si.2ClH.Zr/c2*1-19(2,3)16-12-15-10-7-11-17(18(15)13-16)14-8-5-4-6-9-14;1-3-2;;;/h2*4-13H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride?

dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride has a molecular weight of 747.16 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride is sourced from PubChem (CID 161496746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).