About diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane
diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane (PubChem CID 142753380) has the molecular formula C39H36OSi2
and a molecular weight of 576.89 g/mol. Its IUPAC name is diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane.
Molecular Properties
| Compound Name | diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane |
| PubChem CID | 142753380 |
| Molecular Formula | C39H36OSi2 |
| Molecular Weight | 576.89 g/mol |
| Exact Mass | 576.23 |
| IUPAC Name | diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane |
| SMILES | CC[Si](CC)=[Si](C1C(c2ccccc2C)=Cc2ccccc21)C1C(c2ccccc2)=C(c2ccco2)c2ccccc21 |
| InChI | InChI=1S/C39H36OSi2/c1-4-41(5-2)42(38-31-21-12-10-19-29(31)26-34(38)30-20-11-9-16-27(30)3)39-33-23-14-13-22-32(33)37(35-24-15-25-40-35)36(39)28-17-7-6-8-18-28/h6-26,38-39H,4-5H2,1-3H3 |
| InChIKey | ADGDFURGUWTCER-UHFFFAOYSA-N |
| XLogP | 10.17 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 42 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 576.89 |
| LogP ≤ 5 | 10.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane?
The IUPAC name of diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane (CID 142753380) is diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane.
What is the SMILES notation for diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane?
The canonical SMILES for diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane is CC[Si](CC)=[Si](C1C(c2ccccc2C)=Cc2ccccc21)C1C(c2ccccc2)=C(c2ccco2)c2ccccc21.
What is the InChIKey of diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane?
The InChIKey is ADGDFURGUWTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36OSi2/c1-4-41(5-2)42(38-31-21-12-10-19-29(31)26-34(38)30-20-11-9-16-27(30)3)39-33-23-14-13-22-32(33)37(35-24-15-25-40-35)36(39)28-17-7-6-8-18-28/h6-26,38-39H,4-5H2,1-3H3.
What are the key properties of diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane?
diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane has a molecular weight of 576.89 g/mol, XLogP of 10.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane is sourced from PubChem (CID 142753380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).