dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride

C48H48Cl2SiZr-2 — CID 173142018

About dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride

dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride (PubChem CID 173142018) has the molecular formula C48H48Cl2SiZr-2 and a molecular weight of 815.13 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride.

Molecular Properties

• Compound Name: dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
• PubChem CID: 173142018
• Molecular Formula: C48H48Cl2SiZr-2
• Molecular Weight: 815.13 g/mol
• Exact Mass: 812.20
• IUPAC Name: dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
• SMILES: CC(C)Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CC(C)Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
• InChI: InChI=1S/2C23H21.C2H6Si.2ClH.Zr/c2*1-16(2)13-17-14-19-9-6-12-22(23(19)15-17)21-11-5-8-18-7-3-4-10-20(18)21;1-3-2;;;/h2*3-12,14-16H,13H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: JFAXPWMCZILWCH-UHFFFAOYSA-L
• XLogP: 7.95
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.13
LogP ≤ 5	7.95
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(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride?

The IUPAC name of dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride (CID 173142018) is dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride.

What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride?

The canonical SMILES for dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride is CC(C)Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CC(C)Cc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].

What is the InChIKey of dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride?

The InChIKey is JFAXPWMCZILWCH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H21.C2H6Si.2ClH.Zr/c2*1-16(2)13-17-14-19-9-6-12-22(23(19)15-17)21-11-5-8-18-7-3-4-10-20(18)21;1-3-2;;;/h2*3-12,14-16H,13H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride?

dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride has a molecular weight of 815.13 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride is sourced from PubChem (CID 173142018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).