About (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride
(1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride (PubChem CID 87676891) has the molecular formula C20H17Cl2SiZr
and a molecular weight of 447.57 g/mol. Its IUPAC name is (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride.
Molecular Properties
| Compound Name | (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride |
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| PubChem CID | 87676891 |
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| Molecular Formula | C20H17Cl2SiZr |
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| Molecular Weight | 447.57 g/mol |
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| Exact Mass | 444.95 |
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| IUPAC Name | (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride |
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| SMILES | C[Si](C)=c1ccc2c(c1C1=CC=CC1)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Zr+3] |
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| InChI | InChI=1S/C20H17Si.2ClH.Zr/c1-21(2)19-12-11-17-16-10-6-5-9-15(16)13-18(17)20(19)14-7-3-4-8-14;;;/h3-7,9-12H,8H2,1-2H3;2*1H;/q-1;;;+3/p-2 |
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| InChIKey | ZKICRVUUOXMAJU-UHFFFAOYSA-L |
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| XLogP | -2.07 |
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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 | 1 |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 447.57 |
| LogP ≤ 5 | -2.07 |
| 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 (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride?
The IUPAC name of (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride (CID 87676891) is (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride is C[Si](C)=c1ccc2c(c1C1=CC=CC1)[C-]=c1ccccc1=2.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride?
The InChIKey is ZKICRVUUOXMAJU-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H17Si.2ClH.Zr/c1-21(2)19-12-11-17-16-10-6-5-9-15(16)13-18(17)20(19)14-7-3-4-8-14;;;/h3-7,9-12H,8H2,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride?
(1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride has a molecular weight of 447.57 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-id-2-ylidene)-dimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 87676891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).