About diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane (PubChem CID 140811611) has the molecular formula C58H36N4OSSi
and a molecular weight of 865.11 g/mol. Its IUPAC name is diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane.
Molecular Properties
| Compound Name | diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane |
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| PubChem CID | 140811611 |
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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[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1 |
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| InChI | InChI=1S/C58H36N4OSSi/c1-3-13-39(14-4-1)65(40-15-5-2-6-16-40,55-23-11-19-45-47-33-37(25-27-53(47)63-57(45)55)61-49-21-9-7-17-41(49)43-29-31-59-35-51(43)61)56-24-12-20-46-48-34-38(26-28-54(48)64-58(46)56)62-50-22-10-8-18-42(50)44-30-32-60-36-52(44)62/h1-36H |
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| InChIKey | IHIWWURKBFATLM-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[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?
The IUPAC name of diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane (CID 140811611) is diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane.
What is the SMILES notation for diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?
The canonical SMILES for diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-n4c5ccccc5c5ccncc54)cc23)c2cccc3c2sc2ccc(-n4c5ccccc5c5ccncc54)cc23)cc1.
What is the InChIKey of diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?
The InChIKey is IHIWWURKBFATLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4OSSi/c1-3-13-39(14-4-1)65(40-15-5-2-6-16-40,55-23-11-19-45-47-33-37(25-27-53(47)63-57(45)55)61-49-21-9-7-17-41(49)43-29-31-59-35-51(43)61)56-24-12-20-46-48-34-38(26-28-54(48)64-58(46)56)62-50-22-10-8-18-42(50)44-30-32-60-36-52(44)62/h1-36H.
What are the key properties of diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane?
diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-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[3,4-b]indol-9-yldibenzofuran-4-yl)-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane is sourced from PubChem (CID 140811611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).