About (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane (PubChem CID 140811609) has the molecular formula C59H37N3OSSi
and a molecular weight of 864.12 g/mol. Its IUPAC name is (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane.
Molecular Properties
| Compound Name | (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane |
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| PubChem CID | 140811609 |
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| Molecular Formula | C59H37N3OSSi |
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| Molecular Weight | 864.12 g/mol |
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| Exact Mass | 863.24 |
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| IUPAC Name | (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5cnccc54)cc23)cc1 |
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| InChI | InChI=1S/C59H37N3OSSi/c1-3-15-40(16-4-1)65(41-17-5-2-6-18-41,56-27-13-22-45-47-35-38(29-31-54(47)63-58(45)56)61-50-24-10-7-19-42(50)43-20-8-11-25-51(43)61)57-28-14-23-46-48-36-39(30-32-55(48)64-59(46)57)62-52-26-12-9-21-44(52)49-37-60-34-33-53(49)62/h1-37H |
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| InChIKey | VSMGFXLZPZMADJ-UHFFFAOYSA-N |
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| XLogP | 12.92 |
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| TPSA | 35.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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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 |
|---|
| MW ≤ 500 | 864.12 |
| LogP ≤ 5 | 12.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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 (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?
The IUPAC name of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane (CID 140811609) is (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane.
What is the SMILES notation for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?
The canonical SMILES for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5cnccc54)cc23)cc1.
What is the InChIKey of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?
The InChIKey is VSMGFXLZPZMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3OSSi/c1-3-15-40(16-4-1)65(41-17-5-2-6-18-41,56-27-13-22-45-47-35-38(29-31-54(47)63-58(45)56)61-50-24-10-7-19-42(50)43-20-8-11-25-51(43)61)57-28-14-23-46-48-36-39(30-32-55(48)64-59(46)57)62-52-26-12-9-21-44(52)49-37-60-34-33-53(49)62/h1-37H.
What are the key properties of (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane?
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane has a molecular weight of 864.12 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane is sourced from PubChem (CID 140811609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).