About triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane (PubChem CID 59955085) has the molecular formula C44H36SSi2
and a molecular weight of 653.01 g/mol. Its IUPAC name is triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane.
Molecular Properties
| Compound Name | triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane |
| PubChem CID | 59955085 |
| Molecular Formula | C44H36SSi2 |
| Molecular Weight | 653.01 g/mol |
| Exact Mass | 652.21 |
| IUPAC Name | triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane |
| SMILES | C(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C=C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)s1 |
| InChI | InChI=1S/C44H36SSi2/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-33-37-31-32-38(45-37)34-36-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H |
| InChIKey | FAHHRZNXRCZVHK-UHFFFAOYSA-N |
| XLogP | 7.19 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 47 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 653.01 |
| LogP ≤ 5 | 7.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The IUPAC name of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane (CID 59955085) is triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane.
What is the SMILES notation for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The canonical SMILES for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane is C(=C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C=C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
The InChIKey is FAHHRZNXRCZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36SSi2/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-33-37-31-32-38(45-37)34-36-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-36H.
What are the key properties of triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane?
triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane has a molecular weight of 653.01 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane is sourced from PubChem (CID 59955085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).