About 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87935870) has the molecular formula C30H33Cl2O2SiZr-
and a molecular weight of 615.81 g/mol. Its IUPAC name is 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
Molecular Properties
| Compound Name | 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
|---|
| PubChem CID | 87935870 |
|---|
| Molecular Formula | C30H33Cl2O2SiZr- |
|---|
| Molecular Weight | 615.81 g/mol |
|---|
| Exact Mass | 613.07 |
|---|
| IUPAC Name | 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
|---|
| SMILES | CC(C)=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12.[Cl-].[Cl-] |
|---|
| InChI | InChI=1S/C27H27O2Si.C3H6.2ClH.Zr/c1-30(2,3)29-16-15-28-26-18-20-10-5-7-12-22(20)27(26)24-14-8-13-23-21-11-6-4-9-19(21)17-25(23)24;1-3-2;;;/h4-14,17-18,27H,15-16H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2 |
|---|
| InChIKey | FFGQZLRJYJFROC-UHFFFAOYSA-L |
|---|
| XLogP | 1.82 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 615.81 |
| LogP ≤ 5 | 1.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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'} |
|---|
Analyze 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (CID 87935870) is 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12.[Cl-].[Cl-].
What is the InChIKey of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is FFGQZLRJYJFROC-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27O2Si.C3H6.2ClH.Zr/c1-30(2,3)29-16-15-28-26-18-20-10-5-7-12-22(20)27(26)24-14-8-13-23-21-11-6-4-9-19(21)17-25(23)24;1-3-2;;;/h4-14,17-18,27H,15-16H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 615.81 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87935870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).