tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride

C60H72Cl2Si2Zr2-2 — CID 21261498

About tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride

tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride (PubChem CID 21261498) has the molecular formula C60H72Cl2Si2Zr2-2 and a molecular weight of 1102.76 g/mol. Its IUPAC name is tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride.

Molecular Properties

• Compound Name: tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride
• PubChem CID: 21261498
• Molecular Formula: C60H72Cl2Si2Zr2-2
• Molecular Weight: 1102.76 g/mol
• Exact Mass: 1098.27
• IUPAC Name: tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride
• SMILES: CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C12H10Si.4C9H13.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-9(2,3)8-6-4-5-7-8;;;;/h2*1-10H;4*6-7H,4H2,1-3H3;2*1H;;/q;;4*-1;;;2*+2/p-2
• InChIKey: FGQSOEDQQNNMAU-UHFFFAOYSA-L
• XLogP: 7.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.76
LogP ≤ 5	7.57
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 tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride?

The IUPAC name of tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride (CID 21261498) is tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride.

What is the SMILES notation for tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride?

The canonical SMILES for tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride is CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.

What is the InChIKey of tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride?

The InChIKey is FGQSOEDQQNNMAU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10Si.4C9H13.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-9(2,3)8-6-4-5-7-8;;;;/h2*1-10H;4*6-7H,4H2,1-3H3;2*1H;;/q;;4*-1;;;2*+2/p-2.

What are the key properties of tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride?

tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride has a molecular weight of 1102.76 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-tert-butylcyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));dichloride is sourced from PubChem (CID 21261498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).