About bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (PubChem CID 21261254) has the molecular formula C72H60Cl2F4Hf2Si2-2
and a molecular weight of 1485.32 g/mol. Its IUPAC name is bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.
Molecular Properties
| Compound Name | bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride |
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| PubChem CID | 21261254 |
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| Molecular Formula | C72H60Cl2F4Hf2Si2-2 |
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| Molecular Weight | 1485.32 g/mol |
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| Exact Mass | 1486.25 |
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| IUPAC Name | bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride |
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| SMILES | CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/4C12H10F.2C12H10Si.2ClH.2Hf/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*2-5,8H,7H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2 |
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| InChIKey | APRFDKPMXRDCDC-UHFFFAOYSA-L |
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| XLogP | 10.14 |
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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 | 82 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1485.32 |
| LogP ≤ 5 | 10.14 |
| 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(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The IUPAC name of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (CID 21261254) is bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.
What is the SMILES notation for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The canonical SMILES for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The InChIKey is APRFDKPMXRDCDC-UHFFFAOYSA-L. The full InChI is InChI=1S/4C12H10F.2C12H10Si.2ClH.2Hf/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*2-5,8H,7H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride has a molecular weight of 1485.32 g/mol, XLogP of 10.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is sourced from PubChem (CID 21261254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).