About [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride (PubChem CID 22375891) has the molecular formula C24H27Cl2HfSi-
and a molecular weight of 592.96 g/mol. Its IUPAC name is [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride.
Molecular Properties
| Compound Name | [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride |
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| PubChem CID | 22375891 |
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| Molecular Formula | C24H27Cl2HfSi- |
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| Molecular Weight | 592.96 g/mol |
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| Exact Mass | 593.07 |
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| IUPAC Name | [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride |
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| SMILES | CC(C)=[Hf+2].C[Si](C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.[Cl-].[Cl-] |
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| InChI | InChI=1S/C21H21Si.C3H6.2ClH.Hf/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2 |
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| InChIKey | OZWSQXQNSXPGQF-UHFFFAOYSA-L |
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| XLogP | 1.06 |
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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 | 2 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 592.96 |
| LogP ≤ 5 | 1.06 |
| 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 [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The IUPAC name of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride (CID 22375891) is [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride.
What is the SMILES notation for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The canonical SMILES for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride is CC(C)=[Hf+2].C[Si](C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.[Cl-].[Cl-].
What is the InChIKey of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The InChIKey is OZWSQXQNSXPGQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21Si.C3H6.2ClH.Hf/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride has a molecular weight of 592.96 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride is sourced from PubChem (CID 22375891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).