About bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride
bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride (PubChem CID 158930778) has the molecular formula C42H48Cl2SiZr-2
and a molecular weight of 743.06 g/mol. Its IUPAC name is bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride.
Molecular Properties
| Compound Name | bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride |
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| PubChem CID | 158930778 |
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| Molecular Formula | C42H48Cl2SiZr-2 |
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| Molecular Weight | 743.06 g/mol |
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| Exact Mass | 740.20 |
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| IUPAC Name | bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride |
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| SMILES | Cc1cc2c(C(C)C)ccc(C)c2[cH-]1.Cc1cc2c(C(C)C)ccc(C)c2[cH-]1.Cc1ccc([Si](=[Zr+2])c2ccc(C)cc2)cc1.[Cl-].[Cl-] |
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| InChI | InChI=1S/C14H14Si.2C14H17.2ClH.Zr/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;2*1-9(2)12-6-5-11(4)13-7-10(3)8-14(12)13;;;/h3-10H,1-2H3;2*5-9H,1-4H3;2*1H;/q;2*-1;;;+2/p-2 |
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| InChIKey | IRRAIXKFGOBKSX-UHFFFAOYSA-L |
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| XLogP | 4.56 |
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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 | 46 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 743.06 |
| LogP ≤ 5 | 4.56 |
| 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(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride (CID 158930778) is bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride is Cc1cc2c(C(C)C)ccc(C)c2[cH-]1.Cc1cc2c(C(C)C)ccc(C)c2[cH-]1.Cc1ccc([Si](=[Zr+2])c2ccc(C)cc2)cc1.[Cl-].[Cl-].
What is the InChIKey of bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
The InChIKey is IRRAIXKFGOBKSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14Si.2C14H17.2ClH.Zr/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;2*1-9(2)12-6-5-11(4)13-7-10(3)8-14(12)13;;;/h3-10H,1-2H3;2*5-9H,1-4H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride?
bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride has a molecular weight of 743.06 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)silylidenezirconium(2+);bis(2,7-dimethyl-4-propan-2-yl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158930778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).