About dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran)
dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) (PubChem CID 87357838) has the molecular formula C56H52Cl2O2SiZr-2
and a molecular weight of 947.25 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran).
Molecular Properties
| Compound Name | dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) |
|---|
| PubChem CID | 87357838 |
|---|
| Molecular Formula | C56H52Cl2O2SiZr-2 |
|---|
| Molecular Weight | 947.25 g/mol |
|---|
| Exact Mass | 944.22 |
|---|
| IUPAC Name | dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) |
|---|
| SMILES | CCc1ccc2[cH-]c(-c3cc(C)c(C)o3)cc2c1-c1ccc2ccccc2c1.CCc1ccc2[cH-]c(-c3cc(C)c(C)o3)cc2c1-c1ccc2ccccc2c1.C[Si](C)=[Zr](Cl)Cl |
|---|
| InChI | InChI=1S/2C27H23O.C2H6Si.2ClH.Zr/c2*1-4-19-9-11-22-15-24(26-13-17(2)18(3)28-26)16-25(22)27(19)23-12-10-20-7-5-6-8-21(20)14-23;1-3-2;;;/h2*5-16H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2 |
|---|
| InChIKey | MTVYSDAZURISRW-UHFFFAOYSA-L |
|---|
| XLogP | 17.80 |
|---|
| TPSA | 26.28 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 62 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 947.25 |
| LogP ≤ 5 | 17.80 |
| 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'} |
|---|
Analyze dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) 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 dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) (CID 87357838) is dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) is CCc1ccc2[cH-]c(-c3cc(C)c(C)o3)cc2c1-c1ccc2ccccc2c1.CCc1ccc2[cH-]c(-c3cc(C)c(C)o3)cc2c1-c1ccc2ccccc2c1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran)?
The InChIKey is MTVYSDAZURISRW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H23O.C2H6Si.2ClH.Zr/c2*1-4-19-9-11-22-15-24(26-13-17(2)18(3)28-26)16-25(22)27(19)23-12-10-20-7-5-6-8-21(20)14-23;1-3-2;;;/h2*5-16H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran)?
dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) has a molecular weight of 947.25 g/mol, XLogP of 17.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(5-(5-ethyl-4-naphthalen-2-yl-1H-inden-1-id-2-yl)-2,3-dimethylfuran) is sourced from PubChem (CID 87357838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).