3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole

C60H37N3S — CID 170386269

IUPAC3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)c5c34)cc2)cc1
InChIInChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-26-57-59(43)60-56(25-13-27-58(60)64-57)63-53-24-11-7-19-47(53)49-37-42(33-35-55(49)63)62-52-23-10-6-18-46(52)48-36-41(32-34-54(48)62)61-50-21-8-4-16-44(50)45-17-5-9-22-51(45)61/h1-37H
InChIKeyVTKCFVWQOIBLBT-UHFFFAOYSA-N
MW832.04 g/mol
LogP16.68
Rot. Bonds5

About 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole (PubChem CID 170386269) has the molecular formula C60H37N3S and a molecular weight of 832.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
PubChem CID170386269
Molecular FormulaC60H37N3S
Molecular Weight832.04 g/mol
Exact Mass831.27
IUPAC Name3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)c5c34)cc2)cc1
InChIInChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-26-57-59(43)60-56(25-13-27-58(60)64-57)63-53-24-11-7-19-47(53)49-37-42(33-35-55(49)63)62-52-23-10-6-18-46(52)48-36-41(32-34-54(48)62)61-50-21-8-4-16-44(50)45-17-5-9-22-51(45)61/h1-37H
InChIKeyVTKCFVWQOIBLBT-UHFFFAOYSA-N
XLogP16.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.04
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386162
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzoselenophen-1-yl]carbazole
CID 170517893
2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386169
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole (CID 170386269) is 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)c5c34)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
The InChIKey is VTKCFVWQOIBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3S/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)43-20-12-26-57-59(43)60-56(25-13-27-58(60)64-57)63-53-24-11-7-19-47(53)49-37-42(33-35-55(49)63)62-52-23-10-6-18-46(52)48-36-41(32-34-54(48)62)61-50-21-8-4-16-44(50)45-17-5-9-22-51(45)61/h1-37H.
What are the key properties of 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole has a molecular weight of 832.04 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 170386269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).