About dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)
dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) (PubChem CID 87216555) has the molecular formula C50H52Cl2SiZr-2
and a molecular weight of 843.18 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene).
Molecular Properties
| Compound Name | dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) |
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| PubChem CID | 87216555 |
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| Molecular Formula | C50H52Cl2SiZr-2 |
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| Molecular Weight | 843.18 g/mol |
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| Exact Mass | 840.23 |
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| IUPAC Name | dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) |
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| SMILES | CCCCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl |
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| InChI | InChI=1S/2C24H23.C2H6Si.2ClH.Zr/c2*1-2-3-4-9-18-16-20-12-8-15-23(24(20)17-18)22-14-7-11-19-10-5-6-13-21(19)22;1-3-2;;;/h2*5-8,10-17H,2-4,9H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2 |
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| InChIKey | OPXKDXPUTUTYRC-UHFFFAOYSA-L |
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| XLogP | 16.39 |
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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 | 10 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 843.18 |
| LogP ≤ 5 | 16.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) (CID 87216555) is dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) is CCCCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)?
The InChIKey is OPXKDXPUTUTYRC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H23.C2H6Si.2ClH.Zr/c2*1-2-3-4-9-18-16-20-12-8-15-23(24(20)17-18)22-14-7-11-19-10-5-6-13-21(19)22;1-3-2;;;/h2*5-8,10-17H,2-4,9H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)?
dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) has a molecular weight of 843.18 g/mol, XLogP of 16.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene) is sourced from PubChem (CID 87216555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).