About bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160700012) has the molecular formula C66H64Cl2SiZr-2
and a molecular weight of 1047.45 g/mol. Its IUPAC name is bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
Molecular Properties
| Compound Name | bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride |
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| PubChem CID | 160700012 |
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| Molecular Formula | C66H64Cl2SiZr-2 |
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| Molecular Weight | 1047.45 g/mol |
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| Exact Mass | 1044.32 |
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| IUPAC Name | bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride |
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| SMILES | C[Si](C)=[Zr+2].Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.[Cl-].[Cl-] |
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| InChI | InChI=1S/2C32H29.C2H6Si.2ClH.Zr/c2*1-22-9-13-27(14-10-22)29-17-18-30(28-15-11-23(2)12-16-28)32-21-25(20-31(29)32)19-24(3)26-7-5-4-6-8-26;1-3-2;;;/h2*4-18,20-21,24H,19H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2 |
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| InChIKey | WFZVTVXMOAGUBN-UHFFFAOYSA-L |
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| XLogP | 12.50 |
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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 | 10 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1047.45 |
| LogP ≤ 5 | 12.50 |
| 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(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride (CID 160700012) is bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[cH-]c(CC(C)c4ccccc4)cc23)cc1.[Cl-].[Cl-].
What is the InChIKey of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is WFZVTVXMOAGUBN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C32H29.C2H6Si.2ClH.Zr/c2*1-22-9-13-27(14-10-22)29-17-18-30(28-15-11-23(2)12-16-28)32-21-25(20-31(29)32)19-24(3)26-7-5-4-6-8-26;1-3-2;;;/h2*4-18,20-21,24H,19H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride?
bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 1047.45 g/mol, XLogP of 12.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-bis(4-methylphenyl)-2-(2-phenylpropyl)-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160700012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).