About ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane
ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane (PubChem CID 151898213) has the molecular formula C56H42OSi2
and a molecular weight of 787.12 g/mol. Its IUPAC name is ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane.
Molecular Properties
| Compound Name | ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane |
| PubChem CID | 151898213 |
| Molecular Formula | C56H42OSi2 |
| Molecular Weight | 787.12 g/mol |
| Exact Mass | 786.28 |
| IUPAC Name | ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane |
| SMILES | C=C[Si](O[Si](C=C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2 |
| InChI | InChI=1S/C56H42OSi2/c1-3-58(53-29-13-25-45-41-21-9-5-17-37(41)33-49(45)53,54-30-14-26-46-42-22-10-6-18-38(42)34-50(46)54)57-59(4-2,55-31-15-27-47-43-23-11-7-19-39(43)35-51(47)55)56-32-16-28-48-44-24-12-8-20-40(44)36-52(48)56/h3-32H,1-2,33-36H2 |
| InChIKey | SSEWLAZXNZQMRA-UHFFFAOYSA-N |
| XLogP | 10.26 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 59 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 787.12 |
| LogP ≤ 5 | 10.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane?
The IUPAC name of ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane (CID 151898213) is ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane.
What is the SMILES notation for ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane?
The canonical SMILES for ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane is C=C[Si](O[Si](C=C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane?
The InChIKey is SSEWLAZXNZQMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42OSi2/c1-3-58(53-29-13-25-45-41-21-9-5-17-37(41)33-49(45)53,54-30-14-26-46-42-22-10-6-18-38(42)34-50(46)54)57-59(4-2,55-31-15-27-47-43-23-11-7-19-39(43)35-51(47)55)56-32-16-28-48-44-24-12-8-20-40(44)36-52(48)56/h3-32H,1-2,33-36H2.
What are the key properties of ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane?
ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane has a molecular weight of 787.12 g/mol, XLogP of 10.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[ethenyl-bis(9H-fluoren-1-yl)silyl]oxy-bis(9H-fluoren-1-yl)silane is sourced from PubChem (CID 151898213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).