About bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride (PubChem CID 18326867) has the molecular formula C76H80Cl2Si2Zr2-2
and a molecular weight of 1303.00 g/mol. Its IUPAC name is bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride.
Molecular Properties
| Compound Name | bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride |
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| PubChem CID | 18326867 |
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| Molecular Formula | C76H80Cl2Si2Zr2-2 |
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| Molecular Weight | 1303.00 g/mol |
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| Exact Mass | 1298.33 |
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| IUPAC Name | bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride |
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| SMILES | Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/4C13H15.2C12H10Si.2ClH.2Zr/c4*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*4-9H,1-3H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2 |
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| InChIKey | YARQHGRDENTMBB-UHFFFAOYSA-L |
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| XLogP | 12.65 |
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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 | 8 |
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| Heavy Atoms | 82 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1303.00 |
| LogP ≤ 5 | 12.65 |
| 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(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride (CID 18326867) is bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride is Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.Cc1cc2c(C(C)C)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The InChIKey is YARQHGRDENTMBB-UHFFFAOYSA-L. The full InChI is InChI=1S/4C13H15.2C12H10Si.2ClH.2Zr/c4*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*4-9H,1-3H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride has a molecular weight of 1303.00 g/mol, XLogP of 12.65, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18326867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).