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

C60H40N2SSi — CID 177105280

IUPAC[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-19-43(20-5-1)64(44-21-6-2-7-22-44,45-23-8-3-9-24-45)59-34-18-29-46(41-35-38-58-52(39-41)50-28-13-17-33-57(50)63-58)60(59)62-55-32-16-12-27-49(55)51-40-42(36-37-56(51)62)61-53-30-14-10-25-47(53)48-26-11-15-31-54(48)61/h1-40H
InChIKeyHGOYQVKAKSGSNI-UHFFFAOYSA-N
MW849.15 g/mol
LogP13.29
Rot. Bonds7

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

[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane (PubChem CID 177105280) has the molecular formula C60H40N2SSi and a molecular weight of 849.15 g/mol. Its IUPAC name is [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane
PubChem CID177105280
Molecular FormulaC60H40N2SSi
Molecular Weight849.15 g/mol
Exact Mass848.27
IUPAC Name[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-19-43(20-5-1)64(44-21-6-2-7-22-44,45-23-8-3-9-24-45)59-34-18-29-46(41-35-38-58-52(39-41)50-28-13-17-33-57(50)63-58)60(59)62-55-32-16-12-27-49(55)51-40-42(36-37-56(51)62)61-53-30-14-10-25-47(53)48-26-11-15-31-54(48)61/h1-40H
InChIKeyHGOYQVKAKSGSNI-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

3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
CID 144619443
CID 144619443
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
3-dibenzothiophen-2-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165030110
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154

Frequently Asked Questions

What is the IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane?
The IUPAC name of [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane (CID 177105280) is [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane.
What is the SMILES notation for [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane?
The canonical SMILES for [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc4sc5ccccc5c4c3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane?
The InChIKey is HGOYQVKAKSGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2SSi/c1-4-19-43(20-5-1)64(44-21-6-2-7-22-44,45-23-8-3-9-24-45)59-34-18-29-46(41-35-38-58-52(39-41)50-28-13-17-33-57(50)63-58)60(59)62-55-32-16-12-27-49(55)51-40-42(36-37-56(51)62)61-53-30-14-10-25-47(53)48-26-11-15-31-54(48)61/h1-40H.
What are the key properties of [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane?
[2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-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 [2-(3-carbazol-9-ylcarbazol-9-yl)-3-dibenzothiophen-2-ylphenyl]-triphenylsilane is sourced from PubChem (CID 177105280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).