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 |
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| PubChem CID | 18407437 |
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| Molecular Formula | C60H48Cl2Si2Zr2-2 |
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| Molecular Weight | 1078.57 g/mol |
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| Exact Mass | 1074.08 |
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| IUPAC Name | bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride |
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| 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 |
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| 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 |
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| InChIKey | VWAGJGHDDJGNTA-UHFFFAOYSA-L |
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| XLogP | 6.72 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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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'} |
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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).