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

C60H36N4S — CID 176831699

IUPAC3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c12
InChIInChI=1S/C60H36N4S/c1-8-22-48-39(15-1)40-16-2-9-23-49(40)61(48)37-29-31-54-46(35-37)43-19-5-12-26-52(43)63(54)56-33-34-57(60-59(56)45-21-7-14-28-58(45)65-60)64-53-27-13-6-20-44(53)47-36-38(30-32-55(47)64)62-50-24-10-3-17-41(50)42-18-4-11-25-51(42)62/h1-36H
InChIKeyLTVHYBOMNOQTHI-UHFFFAOYSA-N
MW845.04 g/mol
LogP16.44
Rot. Bonds4

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

3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole (PubChem CID 176831699) has the molecular formula C60H36N4S and a molecular weight of 845.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
PubChem CID176831699
Molecular FormulaC60H36N4S
Molecular Weight845.04 g/mol
Exact Mass844.27
IUPAC Name3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c12
InChIInChI=1S/C60H36N4S/c1-8-22-48-39(15-1)40-16-2-9-23-49(40)61(48)37-29-31-54-46(35-37)43-19-5-12-26-52(43)63(54)56-33-34-57(60-59(56)45-21-7-14-28-58(45)65-60)64-53-27-13-6-20-44(53)47-36-38(30-32-55(47)64)62-50-24-10-3-17-41(50)42-18-4-11-25-51(42)62/h1-36H
InChIKeyLTVHYBOMNOQTHI-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-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
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
2-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155158863
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
3-carbazol-9-yl-9-(3-dibenzothiophen-4-yltetraphenylen-2-yl)carbazole
CID 168811264
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707
9-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503172
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole (CID 176831699) is 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole is c1ccc2c(c1)sc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c12.
What is the InChIKey of 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
The InChIKey is LTVHYBOMNOQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4S/c1-8-22-48-39(15-1)40-16-2-9-23-49(40)61(48)37-29-31-54-46(35-37)43-19-5-12-26-52(43)63(54)56-33-34-57(60-59(56)45-21-7-14-28-58(45)65-60)64-53-27-13-6-20-44(53)47-36-38(30-32-55(47)64)62-50-24-10-3-17-41(50)42-18-4-11-25-51(42)62/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole?
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-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-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 176831699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).