[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C60H40N2SSi — CID 166588164

IUPAC[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc43)c2)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-24-16-17-43(39-48)62-55-28-13-10-25-49(55)51-34-33-44(40-58(51)62)61-56-29-14-11-26-50(56)53-37-41(31-35-57(53)61)42-32-36-60-54(38-42)52-27-12-15-30-59(52)63-60/h1-40H
InChIKeyFOIJODMMCRUMAR-UHFFFAOYSA-N
MW849.15 g/mol
LogP13.29
Rot. Bonds7

About [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588164) has the molecular formula C60H40N2SSi and a molecular weight of 849.15 g/mol. Its IUPAC name is [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID166588164
Molecular FormulaC60H40N2SSi
Molecular Weight849.15 g/mol
Exact Mass848.27
IUPAC Name[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc43)c2)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-24-16-17-43(39-48)62-55-28-13-10-25-49(55)51-34-33-44(40-58(51)62)61-56-29-14-11-26-50(56)53-37-41(31-35-57(53)61)42-32-36-60-54(38-42)52-27-12-15-30-59(52)63-60/h1-40H
InChIKeyFOIJODMMCRUMAR-UHFFFAOYSA-N
XLogP13.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.15
LogP ≤ 513.29
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

dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
[3-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
CID 177285407
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 140790424
[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane
CID 159388992
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588164) is [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc43)c2)cc1.
What is the InChIKey of [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is FOIJODMMCRUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2SSi/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-24-16-17-43(39-48)62-55-28-13-10-25-49(55)51-34-33-44(40-58(51)62)61-56-29-14-11-26-50(56)53-37-41(31-35-57(53)61)42-32-36-60-54(38-42)52-27-12-15-30-59(52)63-60/h1-40H.
What are the key properties of [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 849.15 g/mol, XLogP of 13.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).