About bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride
bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride (PubChem CID 173121752) has the molecular formula C54H54Cl2Hf2Si2
and a molecular weight of 1187.08 g/mol. Its IUPAC name is bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride.
Molecular Properties
| Compound Name | bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride |
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| PubChem CID | 173121752 |
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| Molecular Formula | C54H54Cl2Hf2Si2 |
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| Molecular Weight | 1187.08 g/mol |
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| Exact Mass | 1188.21 |
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| IUPAC Name | bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride |
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| SMILES | C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.c1ccc(Cc2c[cH-]c3ccccc23)cc1.c1ccc(Cc2c[cH-]c3ccccc23)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1 |
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| InChI | InChI=1S/2C16H13.2C9H7.2C2H6Si.2ClH.2Hf/c2*1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h2*1-11H,12H2;2*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2 |
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| InChIKey | YRMCSPGAABBQOY-UHFFFAOYSA-N |
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| XLogP | 15.83 |
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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 | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1187.08 |
| LogP ≤ 5 | 15.83 |
| 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(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride?
The IUPAC name of bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride (CID 173121752) is bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride.
What is the SMILES notation for bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride?
The canonical SMILES for bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride is C[Si](C)=[Hf+2].C[Si](C)=[Hf+2].Cl.Cl.c1ccc(Cc2c[cH-]c3ccccc23)cc1.c1ccc(Cc2c[cH-]c3ccccc23)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride?
The InChIKey is YRMCSPGAABBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13.2C9H7.2C2H6Si.2ClH.2Hf/c2*1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h2*1-11H,12H2;2*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride?
bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride has a molecular weight of 1187.08 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride is sourced from PubChem (CID 173121752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).