About tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane
tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane (PubChem CID 71589859) has the molecular formula C40H35Cl2F2NO2Si
and a molecular weight of 698.71 g/mol. Its IUPAC name is tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane.
Molecular Properties
| Compound Name | tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane |
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| PubChem CID | 71589859 |
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| Molecular Formula | C40H35Cl2F2NO2Si |
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| Molecular Weight | 698.71 g/mol |
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| Exact Mass | 697.18 |
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| IUPAC Name | tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane |
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| SMILES | CC(C)(C)[Si](OCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C40H35Cl2F2NO2Si/c1-40(2,3)48(28-13-6-4-7-14-28,29-15-8-5-9-16-29)47-24-23-31-38(30-17-10-11-18-34(30)42)32-25-27(41)21-22-37(32)45-39(31)46-26-33-35(43)19-12-20-36(33)44/h4-22,25H,23-24,26H2,1-3H3 |
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| InChIKey | CTVDNBZLFYSGEY-UHFFFAOYSA-N |
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| XLogP | 10.18 |
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| TPSA | 31.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 698.71 |
| LogP ≤ 5 | 10.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane (CID 71589859) is tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane is CC(C)(C)[Si](OCCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane?
The InChIKey is CTVDNBZLFYSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35Cl2F2NO2Si/c1-40(2,3)48(28-13-6-4-7-14-28,29-15-8-5-9-16-29)47-24-23-31-38(30-17-10-11-18-34(30)42)32-25-27(41)21-22-37(32)45-39(31)46-26-33-35(43)19-12-20-36(33)44/h4-22,25H,23-24,26H2,1-3H3.
What are the key properties of tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane has a molecular weight of 698.71 g/mol, XLogP of 10.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[6-chloro-4-(2-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]quinolin-3-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 71589859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).