About (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
(1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87936748) has the molecular formula C33H33Cl2O2SiZr-
and a molecular weight of 651.84 g/mol. Its IUPAC name is (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
Molecular Properties
| Compound Name | (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
|---|
| PubChem CID | 87936748 |
|---|
| Molecular Formula | C33H33Cl2O2SiZr- |
|---|
| Molecular Weight | 651.84 g/mol |
|---|
| Exact Mass | 649.07 |
|---|
| IUPAC Name | (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride |
|---|
| SMILES | CC(C)=[Zr+2].C[Si](C)(C)OCOc1ccc2c(c1-[c-]1c3ccccc3c3ccccc31)Cc1ccccc1-2.[Cl-].[Cl-] |
|---|
| InChI | InChI=1S/C30H27O2Si.C3H6.2ClH.Zr/c1-33(2,3)32-19-31-28-17-16-24-21-11-5-4-10-20(21)18-27(24)30(28)29-25-14-8-6-12-22(25)23-13-7-9-15-26(23)29;1-3-2;;;/h4-17H,18-19H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2 |
|---|
| InChIKey | QJJXZSJCRKECCQ-UHFFFAOYSA-L |
|---|
| XLogP | 2.89 |
|---|
| TPSA | 18.46 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 651.84 |
| LogP ≤ 5 | 2.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Analyze (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-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 (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (CID 87936748) is (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].C[Si](C)(C)OCOc1ccc2c(c1-[c-]1c3ccccc3c3ccccc31)Cc1ccccc1-2.[Cl-].[Cl-].
What is the InChIKey of (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is QJJXZSJCRKECCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H27O2Si.C3H6.2ClH.Zr/c1-33(2,3)32-19-31-28-17-16-24-21-11-5-4-10-20(21)18-27(24)30(28)29-25-14-8-6-12-22(25)23-13-7-9-15-26(23)29;1-3-2;;;/h4-17H,18-19H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
(1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 651.84 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoren-9-id-9-yl-9H-fluoren-2-yl)oxymethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87936748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).