About bis(4-trimethylsilylphenyl)methylidenezirconium(2+)
bis(4-trimethylsilylphenyl)methylidenezirconium(2+) (PubChem CID 21105879) has the molecular formula C19H26Si2Zr+2
and a molecular weight of 401.81 g/mol. Its IUPAC name is bis(4-trimethylsilylphenyl)methylidenezirconium(2+).
Molecular Properties
| Compound Name | bis(4-trimethylsilylphenyl)methylidenezirconium(2+) |
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| PubChem CID | 21105879 |
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| Molecular Formula | C19H26Si2Zr+2 |
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| Molecular Weight | 401.81 g/mol |
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| Exact Mass | 400.06 |
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| IUPAC Name | bis(4-trimethylsilylphenyl)methylidenezirconium(2+) |
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| SMILES | C[Si](C)(C)c1ccc(C(=[Zr+2])c2ccc([Si](C)(C)C)cc2)cc1 |
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| InChI | InChI=1S/C19H26Si2.Zr/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;/h7-14H,1-6H3;/q;+2 |
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| InChIKey | IXFWAGCALFUZRT-UHFFFAOYSA-N |
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| XLogP | 3.89 |
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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 | 22 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 401.81 |
| LogP ≤ 5 | 3.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(4-trimethylsilylphenyl)methylidenezirconium(2+)?
The IUPAC name of bis(4-trimethylsilylphenyl)methylidenezirconium(2+) (CID 21105879) is bis(4-trimethylsilylphenyl)methylidenezirconium(2+).
What is the SMILES notation for bis(4-trimethylsilylphenyl)methylidenezirconium(2+)?
The canonical SMILES for bis(4-trimethylsilylphenyl)methylidenezirconium(2+) is C[Si](C)(C)c1ccc(C(=[Zr+2])c2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of bis(4-trimethylsilylphenyl)methylidenezirconium(2+)?
The InChIKey is IXFWAGCALFUZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Si2.Zr/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;/h7-14H,1-6H3;/q;+2.
What are the key properties of bis(4-trimethylsilylphenyl)methylidenezirconium(2+)?
bis(4-trimethylsilylphenyl)methylidenezirconium(2+) has a molecular weight of 401.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-trimethylsilylphenyl)methylidenezirconium(2+) is sourced from PubChem (CID 21105879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).