3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole

C60H36N4S — CID 176831682

IUPAC3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2c(c1)sc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12
InChIInChI=1S/C60H36N4S/c1-7-20-49-40(14-1)41-15-2-8-21-50(41)61(49)37-29-32-55-47(34-37)44-18-5-9-22-51(44)62(55)38-30-33-56-48(35-38)45-19-6-10-23-52(45)63(56)39-28-31-46-59(36-39)65-58-27-13-26-57(60(46)58)64-53-24-11-3-16-42(53)43-17-4-12-25-54(43)64/h1-36H
InChIKeyAYXTUCGDXKHWPR-UHFFFAOYSA-N
MW845.04 g/mol
LogP16.44
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole (PubChem CID 176831682) has the molecular formula C60H36N4S and a molecular weight of 845.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
PubChem CID176831682
Molecular FormulaC60H36N4S
Molecular Weight845.04 g/mol
Exact Mass844.27
IUPAC Name3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2c(c1)sc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12
InChIInChI=1S/C60H36N4S/c1-7-20-49-40(14-1)41-15-2-8-21-50(41)61(49)37-29-32-55-47(34-37)44-18-5-9-22-51(44)62(55)38-30-33-56-48(35-38)45-19-6-10-23-52(45)63(56)39-28-31-46-59(36-39)65-58-27-13-26-57(60(46)58)64-53-24-11-3-16-42(53)43-17-4-12-25-54(43)64/h1-36H
InChIKeyAYXTUCGDXKHWPR-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-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707
9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386169
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole (CID 176831682) is 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole is c1cc(-n2c3ccccc3c3ccccc32)c2c(c1)sc1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)ccc12.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole?
The InChIKey is AYXTUCGDXKHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4S/c1-7-20-49-40(14-1)41-15-2-8-21-50(41)61(49)37-29-32-55-47(34-37)44-18-5-9-22-51(44)62(55)38-30-33-56-48(35-38)45-19-6-10-23-52(45)63(56)39-28-31-46-59(36-39)65-58-27-13-26-57(60(46)58)64-53-24-11-3-16-42(53)43-17-4-12-25-54(43)64/h1-36H.
What are the key properties of 3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-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-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 176831682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).