About (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane
(8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane (PubChem CID 140811625) has the molecular formula C58H34N2OS3Si
and a molecular weight of 899.21 g/mol. Its IUPAC name is (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane.
Molecular Properties
| Compound Name | (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane |
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| PubChem CID | 140811625 |
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| Molecular Formula | C58H34N2OS3Si |
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| Molecular Weight | 899.21 g/mol |
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| Exact Mass | 898.16 |
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| IUPAC Name | (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)nccc23)c2nccc3c2sc2c(-c4cccc5c4oc4ccccc45)cccc23)cc1 |
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| InChI | InChI=1S/C58H34N2OS3Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,50-30-14-26-44-45-31-33-59-51(56(45)64-55(44)50)47-27-13-23-41-38-20-8-10-29-49(38)62-54(41)47)58-57-46(32-34-60-58)43-25-12-24-42(53(43)63-57)40-22-11-21-39-37-19-7-9-28-48(37)61-52(39)40/h1-34H |
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| InChIKey | DNGCZXOKYKFYCA-UHFFFAOYSA-N |
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| XLogP | 14.19 |
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| TPSA | 38.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 65 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 899.21 |
| LogP ≤ 5 | 14.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Analyze (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane with MolForge
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Frequently Asked Questions
What is the IUPAC name of (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane?
The IUPAC name of (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane (CID 140811625) is (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane.
What is the SMILES notation for (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane?
The canonical SMILES for (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)nccc23)c2nccc3c2sc2c(-c4cccc5c4oc4ccccc45)cccc23)cc1.
What is the InChIKey of (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane?
The InChIKey is DNGCZXOKYKFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2OS3Si/c1-3-15-35(16-4-1)65(36-17-5-2-6-18-36,50-30-14-26-44-45-31-33-59-51(56(45)64-55(44)50)47-27-13-23-41-38-20-8-10-29-49(38)62-54(41)47)58-57-46(32-34-60-58)43-25-12-24-42(53(43)63-57)40-22-11-21-39-37-19-7-9-28-48(37)61-52(39)40/h1-34H.
What are the key properties of (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane?
(8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane has a molecular weight of 899.21 g/mol, XLogP of 14.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dibenzofuran-4-yl-[1]benzothiolo[2,3-c]pyridin-1-yl)-(1-dibenzothiophen-4-yl-[1]benzothiolo[2,3-c]pyridin-8-yl)-diphenylsilane is sourced from PubChem (CID 140811625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).