About (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane
(6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane (PubChem CID 140811581) has the molecular formula C59H37N3OSSi
and a molecular weight of 864.12 g/mol. Its IUPAC name is (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane.
Molecular Properties
| Compound Name | (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane |
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| PubChem CID | 140811581 |
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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 | (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5cccnc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1 |
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| InChI | InChI=1S/C59H37N3OSSi/c1-3-18-38(19-4-1)65(39-20-5-2-6-21-39,53-35-15-26-44-43-25-13-33-51(55(43)63-56(44)53)62-50-32-12-9-24-42(50)47-29-17-37-60-59(47)62)54-36-16-28-46-45-27-14-34-52(57(45)64-58(46)54)61-48-30-10-7-22-40(48)41-23-8-11-31-49(41)61/h1-37H |
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| InChIKey | DGCBAIWCYHHNCC-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 (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane?
The IUPAC name of (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane (CID 140811581) is (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane.
What is the SMILES notation for (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane?
The canonical SMILES for (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-n4c5ccccc5c5cccnc54)cccc23)c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1.
What is the InChIKey of (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane?
The InChIKey is DGCBAIWCYHHNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3OSSi/c1-3-18-38(19-4-1)65(39-20-5-2-6-21-39,53-35-15-26-44-43-25-13-33-51(55(43)63-56(44)53)62-50-32-12-9-24-42(50)47-29-17-37-60-59(47)62)54-36-16-28-46-45-27-14-34-52(57(45)64-58(46)54)61-48-30-10-7-22-40(48)41-23-8-11-31-49(41)61/h1-37H.
What are the key properties of (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane?
(6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-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 (6-carbazol-9-yldibenzothiophen-4-yl)-diphenyl-(6-pyrido[2,3-b]indol-9-yldibenzofuran-4-yl)silane is sourced from PubChem (CID 140811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).