3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole

C60H36N4S — CID 176831674

IUPAC3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12
InChIInChI=1S/C60H36N4S/c1-7-22-48-39(15-1)40-16-2-8-23-49(40)61(48)37-31-33-54-46(35-37)43-19-5-11-26-52(43)63(54)56-28-14-30-58-59(56)45-21-13-29-57(60(45)65-58)64-53-27-12-6-20-44(53)47-36-38(32-34-55(47)64)62-50-24-9-3-17-41(50)42-18-4-10-25-51(42)62/h1-36H
InChIKeyIWBQWMAHZIVECB-UHFFFAOYSA-N
MW845.04 g/mol
LogP16.44
Rot. Bonds4

About 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole

3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole (PubChem CID 176831674) has the molecular formula C60H36N4S and a molecular weight of 845.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
PubChem CID176831674
Molecular FormulaC60H36N4S
Molecular Weight845.04 g/mol
Exact Mass844.27
IUPAC Name3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12
InChIInChI=1S/C60H36N4S/c1-7-22-48-39(15-1)40-16-2-8-23-49(40)61(48)37-31-33-54-46(35-37)43-19-5-11-26-52(43)63(54)56-28-14-30-58-59(56)45-21-13-29-57(60(45)65-58)64-53-27-12-6-20-44(53)47-36-38(32-34-55(47)64)62-50-24-9-3-17-41(50)42-18-4-10-25-51(42)62/h1-36H
InChIKeyIWBQWMAHZIVECB-UHFFFAOYSA-N
XLogP16.44
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole (CID 176831674) is 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole is c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cccc12.
What is the InChIKey of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole?
The InChIKey is IWBQWMAHZIVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4S/c1-7-22-48-39(15-1)40-16-2-8-23-49(40)61(48)37-31-33-54-46(35-37)43-19-5-11-26-52(43)63(54)56-28-14-30-58-59(56)45-21-13-29-57(60(45)65-58)64-53-27-12-6-20-44(53)47-36-38(32-34-55(47)64)62-50-24-9-3-17-41(50)42-18-4-10-25-51(42)62/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole?
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole has a molecular weight of 845.04 g/mol, XLogP of 16.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 176831674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).