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

C30H32Cl2SiZr-2 — CID 161236636

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

1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride (PubChem CID 161236636) has the molecular formula C30H32Cl2SiZr-2 and a molecular weight of 582.80 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride.

Molecular Properties

• Compound Name: 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride
• PubChem CID: 161236636
• Molecular Formula: C30H32Cl2SiZr-2
• Molecular Weight: 582.80 g/mol
• Exact Mass: 580.07
• IUPAC Name: 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride
• SMILES: Cc1cc([Si](C)(C)C)c[cH-]1.[Cl-].[Cl-].[Zr+2]=CCc1ccccc1.[c-]1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/C13H9.C9H15Si.C8H8.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-6-9(7-8)10(2,3)4;1-2-8-6-4-3-5-7-8;;;/h1-5,7-8H,9H2;5-7H,1-4H3;1,3-7H,2H2;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: MOVVYNIUYPZPDH-UHFFFAOYSA-L
• XLogP: 0.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.80
LogP ≤ 5	0.90
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 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride?

The IUPAC name of 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride (CID 161236636) is 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride.

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

The canonical SMILES for 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride is Cc1cc([Si](C)(C)C)c[cH-]1.[Cl-].[Cl-].[Zr+2]=CCc1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.

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

The InChIKey is MOVVYNIUYPZPDH-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H15Si.C8H8.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-6-9(7-8)10(2,3)4;1-2-8-6-4-3-5-7-8;;;/h1-5,7-8H,9H2;5-7H,1-4H3;1,3-7H,2H2;2*1H;/q2*-1;;;;+2/p-2.

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

1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride has a molecular weight of 582.80 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,9-dihydrofluoren-1-ide;2-phenylethylidenezirconium(2+);trimethyl-(4-methylcyclopenta-1,4-dien-1-yl)silane;dichloride is sourced from PubChem (CID 161236636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).