bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride

C60H48Cl2Si2Zr2-2 — CID 18407437

About bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride

bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride (PubChem CID 18407437) has the molecular formula C60H48Cl2Si2Zr2-2 and a molecular weight of 1078.57 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride.

Molecular Properties

• Compound Name: bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
• PubChem CID: 18407437
• Molecular Formula: C60H48Cl2Si2Zr2-2
• Molecular Weight: 1078.57 g/mol
• Exact Mass: 1074.08
• IUPAC Name: bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
• SMILES: [C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
• InChI: InChI=1S/2C13H9.2C12H10Si.2C5H5.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;;/h2*1-9H;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2
• InChIKey: VWAGJGHDDJGNTA-UHFFFAOYSA-L
• XLogP: 6.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.57
LogP ≤ 5	6.72
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 bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride?

The IUPAC name of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride (CID 18407437) is bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride.

What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride?

The canonical SMILES for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride is [C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.

What is the InChIKey of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride?

The InChIKey is VWAGJGHDDJGNTA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.2C12H10Si.2C5H5.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-5-3-1;;;;/h2*1-9H;2*1-10H;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2.

What are the key properties of bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride?

bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride has a molecular weight of 1078.57 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride is sourced from PubChem (CID 18407437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).