About tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride (PubChem CID 173133719) has the molecular formula C68H64Cl2Hf2Si2-2
and a molecular weight of 1365.32 g/mol. Its IUPAC name is tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride.
Molecular Properties
| Compound Name | tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride |
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| PubChem CID | 173133719 |
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| Molecular Formula | C68H64Cl2Hf2Si2-2 |
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| Molecular Weight | 1365.32 g/mol |
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| Exact Mass | 1366.29 |
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| IUPAC Name | tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride |
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| SMILES | Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/2C12H10Si.4C11H11.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2 |
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| InChIKey | DYEIWPVQBADMQN-UHFFFAOYSA-L |
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| XLogP | 9.39 |
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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 | 74 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1365.32 |
| LogP ≤ 5 | 9.39 |
| 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 tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The IUPAC name of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride (CID 173133719) is tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride.
What is the SMILES notation for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The canonical SMILES for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride is Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
The InChIKey is DYEIWPVQBADMQN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10Si.4C11H11.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-6-10-5-3-4-9(2)11(10)7-8;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride?
tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride has a molecular weight of 1365.32 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride is sourced from PubChem (CID 173133719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).