[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane

C54H36N2SSi — CID 171416886

IUPAC[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc23)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-18-38(19-5-1)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)52-33-17-28-45-44-27-16-32-51(53(44)57-54(45)52)56-49-31-15-12-26-43(49)46-36-37(34-35-50(46)56)55-47-29-13-10-24-41(47)42-25-11-14-30-48(42)55/h1-36H
InChIKeyNIZNKHLCWPTKFC-UHFFFAOYSA-N
MW773.05 g/mol
LogP11.63
Rot. Bonds6

About [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane

[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane (PubChem CID 171416886) has the molecular formula C54H36N2SSi and a molecular weight of 773.05 g/mol. Its IUPAC name is [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
PubChem CID171416886
Molecular FormulaC54H36N2SSi
Molecular Weight773.05 g/mol
Exact Mass772.24
IUPAC Name[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc23)cc1
InChIInChI=1S/C54H36N2SSi/c1-4-18-38(19-5-1)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)52-33-17-28-45-44-27-16-32-51(53(44)57-54(45)52)56-49-31-15-12-26-43(49)46-36-37(34-35-50(46)56)55-47-29-13-10-24-41(47)42-25-11-14-30-48(42)55/h1-36H
InChIKeyNIZNKHLCWPTKFC-UHFFFAOYSA-N
XLogP11.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.05
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane
CID 171416899
(3-bromophenyl)-dibenzothiophen-4-yl-diphenylsilane;[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane;dibenzothiophene;1,3-dibromobenzene
CID 161297195
[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515996
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
[2-(3-carbazol-9-ylcarbazol-9-yl)-5-triphenylsilylphenyl]-triphenylsilane
CID 177105259
[2-(3-carbazol-9-ylcarbazol-9-yl)-4-triphenylsilylphenyl]-triphenylsilane
CID 177105255
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
CID 168836117
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674

Frequently Asked Questions

What is the IUPAC name of [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane?
The IUPAC name of [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane (CID 171416886) is [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane.
What is the SMILES notation for [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane?
The canonical SMILES for [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2sc2c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc23)cc1.
What is the InChIKey of [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane?
The InChIKey is NIZNKHLCWPTKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2SSi/c1-4-18-38(19-5-1)58(39-20-6-2-7-21-39,40-22-8-3-9-23-40)52-33-17-28-45-44-27-16-32-51(53(44)57-54(45)52)56-49-31-15-12-26-43(49)46-36-37(34-35-50(46)56)55-47-29-13-10-24-41(47)42-25-11-14-30-48(42)55/h1-36H.
What are the key properties of [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane?
[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane has a molecular weight of 773.05 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-triphenylsilane is sourced from PubChem (CID 171416886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).