[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C60H40N2SSi — CID 166589134

IUPAC[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cccc(-c7ccc8c(c7)sc7ccccc78)c65)c43)cc2)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-18-43(19-5-1)64(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-37-35-42(36-38-46)61-54-30-13-10-25-49(54)53-29-17-32-56(60(53)61)62-55-31-14-11-24-48(55)52-28-16-27-47(59(52)62)41-34-39-51-50-26-12-15-33-57(50)63-58(51)40-41/h1-40H
InChIKeyWVBAAJPYMTUGDK-UHFFFAOYSA-N
MW849.15 g/mol
LogP13.29
Rot. Bonds7

About [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166589134) has the molecular formula C60H40N2SSi and a molecular weight of 849.15 g/mol. Its IUPAC name is [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID166589134
Molecular FormulaC60H40N2SSi
Molecular Weight849.15 g/mol
Exact Mass848.27
IUPAC Name[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cccc(-c7ccc8c(c7)sc7ccccc78)c65)c43)cc2)cc1
InChIInChI=1S/C60H40N2SSi/c1-4-18-43(19-5-1)64(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-37-35-42(36-38-46)61-54-30-13-10-25-49(54)53-29-17-32-56(60(53)61)62-55-31-14-11-24-48(55)52-28-16-27-47(59(52)62)41-34-39-51-50-26-12-15-33-57(50)63-58(51)40-41/h1-40H
InChIKeyWVBAAJPYMTUGDK-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

[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722214
1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166037126
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]silane
CID 170515983
[4-[1-[1-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588726
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516312
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166589134) is [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cccc(-c7ccc8c(c7)sc7ccccc78)c65)c43)cc2)cc1.
What is the InChIKey of [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is WVBAAJPYMTUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2SSi/c1-4-18-43(19-5-1)64(44-20-6-2-7-21-44,45-22-8-3-9-23-45)46-37-35-42(36-38-46)61-54-30-13-10-25-49(54)53-29-17-32-56(60(53)61)62-55-31-14-11-24-48(55)52-28-16-27-47(59(52)62)41-34-39-51-50-26-12-15-33-57(50)63-58(51)40-41/h1-40H.
What are the key properties of [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[4-[1-(1-dibenzothiophen-3-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 [4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166589134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).