cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride

C33H32Cl2Si2Zr-2 — CID 172859865

About cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride

cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride (PubChem CID 172859865) has the molecular formula C33H32Cl2Si2Zr-2 and a molecular weight of 646.92 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride.

Molecular Properties

• Compound Name: cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride
• PubChem CID: 172859865
• Molecular Formula: C33H32Cl2Si2Zr-2
• Molecular Weight: 646.92 g/mol
• Exact Mass: 644.05
• IUPAC Name: cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride
• SMILES: C[Si](C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/C13H9.C12H10Si.C8H13Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)8-6-4-5-7-8;;;/h1-5,7-8H,9H2;1-10H;4-7H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2
• InChIKey: HZRMFJRRBLXLGM-UHFFFAOYSA-L
• XLogP: 0.36
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.92
LogP ≤ 5	0.36
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 cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride?

The IUPAC name of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride (CID 172859865) is cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride.

What is the SMILES notation for cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride?

The canonical SMILES for cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride is C[Si](C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.

What is the InChIKey of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride?

The InChIKey is HZRMFJRRBLXLGM-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C12H10Si.C8H13Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)8-6-4-5-7-8;;;/h1-5,7-8H,9H2;1-10H;4-7H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2.

What are the key properties of cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride?

cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride has a molecular weight of 646.92 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;diphenylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 172859865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).