About diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane
diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane (PubChem CID 140811453) has the molecular formula C58H36N4OSSi
and a molecular weight of 865.11 g/mol. Its IUPAC name is diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane.
Molecular Properties
| Compound Name | diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane |
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| PubChem CID | 140811453 |
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| Molecular Formula | C58H36N4OSSi |
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| Molecular Weight | 865.11 g/mol |
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| Exact Mass | 864.24 |
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| IUPAC Name | diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5cccnc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5cccnc54)cc23)cc1 |
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| InChI | InChI=1S/C58H36N4OSSi/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,53-27-11-21-43-47-35-37(29-31-51(47)63-55(43)53)61-49-25-9-7-19-41(49)45-23-13-33-59-57(45)61)54-28-12-22-44-48-36-38(30-32-52(48)64-56(44)54)62-50-26-10-8-20-42(50)46-24-14-34-60-58(46)62/h1-36H |
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| InChIKey | UOPXWOSEUHHJTH-UHFFFAOYSA-N |
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| XLogP | 12.32 |
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| TPSA | 48.78 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 | 865.11 |
| LogP ≤ 5 | 12.32 |
| 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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Frequently Asked Questions
What is the IUPAC name of diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane?
The IUPAC name of diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane (CID 140811453) is diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane.
What is the SMILES notation for diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane?
The canonical SMILES for diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5cccnc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5cccnc54)cc23)cc1.
What is the InChIKey of diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane?
The InChIKey is UOPXWOSEUHHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4OSSi/c1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,53-27-11-21-43-47-35-37(29-31-51(47)63-55(43)53)61-49-25-9-7-19-41(49)45-23-13-33-59-57(45)61)54-28-12-22-44-48-36-38(30-32-52(48)64-56(44)54)62-50-26-10-8-20-42(50)46-24-14-34-60-58(46)62/h1-36H.
What are the key properties of diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane?
diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane has a molecular weight of 865.11 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(8-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-4-yl)silane is sourced from PubChem (CID 140811453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).