About 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87877757) has the molecular formula C21H19Cl2Zr-
and a molecular weight of 433.51 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride.
Molecular Properties
| Compound Name | 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride |
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| PubChem CID | 87877757 |
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| Molecular Formula | C21H19Cl2Zr- |
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| Molecular Weight | 433.51 g/mol |
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| Exact Mass | 430.99 |
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| IUPAC Name | 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride |
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| SMILES | CC(C)=[Zr+2].[Cl-].[Cl-].[c-]1cccc2c1C(C1=CC=CC1)c1ccccc1-2 |
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| InChI | InChI=1S/C18H13.C3H6.2ClH.Zr/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;1-3-2;;;/h1-7,9-11,18H,8H2;1-2H3;2*1H;/q-1;;;;+2/p-2 |
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| InChIKey | ZJJJLDBRFAQHKD-UHFFFAOYSA-L |
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| XLogP | -0.76 |
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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 | 433.51 |
| LogP ≤ 5 | -0.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride (CID 87877757) is 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].[Cl-].[Cl-].[c-]1cccc2c1C(C1=CC=CC1)c1ccccc1-2.
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is ZJJJLDBRFAQHKD-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13.C3H6.2ClH.Zr/c1-2-8-13(7-1)18-16-11-5-3-9-14(16)15-10-4-6-12-17(15)18;1-3-2;;;/h1-7,9-11,18H,8H2;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride?
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 433.51 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87877757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).