About bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride (PubChem CID 18008289) has the molecular formula C84H96Cl2Si2Zr2-2
and a molecular weight of 1415.22 g/mol. Its IUPAC name is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride.
Molecular Properties
| Compound Name | bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride |
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| PubChem CID | 18008289 |
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| Molecular Formula | C84H96Cl2Si2Zr2-2 |
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| Molecular Weight | 1415.22 g/mol |
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| Exact Mass | 1410.45 |
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| IUPAC Name | bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride |
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| SMILES | CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-] |
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| InChI | InChI=1S/4C20H21.2C2H6Si.2ClH.2Zr/c4*1-5-16-11-17-7-6-8-18(19(17)12-16)20-14(3)9-13(2)10-15(20)4;2*1-3-2;;;;/h4*6-12H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2 |
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| InChIKey | YDDHNZBHJIOUSJ-UHFFFAOYSA-L |
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| XLogP | 18.43 |
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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 | 90 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1415.22 |
| LogP ≤ 5 | 18.43 |
| 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(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?
The IUPAC name of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride (CID 18008289) is bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride is CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.CCc1cc2c(-c3c(C)cc(C)cc3C)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?
The InChIKey is YDDHNZBHJIOUSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C20H21.2C2H6Si.2ClH.2Zr/c4*1-5-16-11-17-7-6-8-18(19(17)12-16)20-14(3)9-13(2)10-15(20)4;2*1-3-2;;;;/h4*6-12H,5H2,1-4H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride?
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride has a molecular weight of 1415.22 g/mol, XLogP of 18.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride is sourced from PubChem (CID 18008289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).