[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane

C57H37N5SSi — CID 153495130

IUPAC[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cccc23)cc1
InChIInChI=1S/C57H37N5SSi/c1-4-20-38(21-5-1)64(39-22-6-2-7-23-39,40-24-8-3-9-25-40)52-37-19-31-46-45-30-18-32-47(53(45)63-54(46)52)55-58-56(61-48-33-14-10-26-41(48)42-27-11-15-34-49(42)61)60-57(59-55)62-50-35-16-12-28-43(50)44-29-13-17-36-51(44)62/h1-37H
InChIKeyXCHUQKKTZSZOCR-UHFFFAOYSA-N
MW852.11 g/mol
LogP11.48
Rot. Bonds7

About [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane

[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane (PubChem CID 153495130) has the molecular formula C57H37N5SSi and a molecular weight of 852.11 g/mol. Its IUPAC name is [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane
PubChem CID153495130
Molecular FormulaC57H37N5SSi
Molecular Weight852.11 g/mol
Exact Mass851.25
IUPAC Name[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cccc23)cc1
InChIInChI=1S/C57H37N5SSi/c1-4-20-38(21-5-1)64(39-22-6-2-7-23-39,40-24-8-3-9-25-40)52-37-19-31-46-45-30-18-32-47(53(45)63-54(46)52)55-58-56(61-48-33-14-10-26-41(48)42-27-11-15-34-49(42)61)60-57(59-55)62-50-35-16-12-28-43(50)44-29-13-17-36-51(44)62/h1-37H
InChIKeyXCHUQKKTZSZOCR-UHFFFAOYSA-N
XLogP11.48
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.11
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 164757111
[2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane
CID 168811034
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
[3-[4-carbazol-9-yl-6-[2-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 157212268
[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
CID 171416886
[9-(4-carbazol-9-yl-6-tetraphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-1-yl]-triphenylsilane
CID 176620870
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100

Frequently Asked Questions

What is the IUPAC name of [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane?
The IUPAC name of [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane (CID 153495130) is [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane.
What is the SMILES notation for [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane?
The canonical SMILES for [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cccc23)cc1.
What is the InChIKey of [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane?
The InChIKey is XCHUQKKTZSZOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5SSi/c1-4-20-38(21-5-1)64(39-22-6-2-7-23-39,40-24-8-3-9-25-40)52-37-19-31-46-45-30-18-32-47(53(45)63-54(46)52)55-58-56(61-48-33-14-10-26-41(48)42-27-11-15-34-49(42)61)60-57(59-55)62-50-35-16-12-28-43(50)44-29-13-17-36-51(44)62/h1-37H.
What are the key properties of [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane?
[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane has a molecular weight of 852.11 g/mol, XLogP of 11.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-triphenylsilane is sourced from PubChem (CID 153495130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).