2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole

C36H20ClNS2 — CID 137493978

IUPAC2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
SMILESClc1ccc2c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n(-c3cccc4c3sc3ccccc34)c2c1
InChIInChI=1S/C36H20ClNS2/c37-23-14-15-24-28-18-21(22-13-17-35-29(19-22)26-7-2-3-10-33(26)39-35)12-16-30(28)38(32(24)20-23)31-9-5-8-27-25-6-1-4-11-34(25)40-36(27)31/h1-20H
InChIKeyYTIBOLAQAGVJOE-UHFFFAOYSA-N
MW566.15 g/mol
LogP11.84
Rot. Bonds2

About 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole

2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole (PubChem CID 137493978) has the molecular formula C36H20ClNS2 and a molecular weight of 566.15 g/mol. Its IUPAC name is 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
PubChem CID137493978
Molecular FormulaC36H20ClNS2
Molecular Weight566.15 g/mol
Exact Mass565.07
IUPAC Name2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
SMILESClc1ccc2c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n(-c3cccc4c3sc3ccccc34)c2c1
InChIInChI=1S/C36H20ClNS2/c37-23-14-15-24-28-18-21(22-13-17-35-29(19-22)26-7-2-3-10-33(26)39-35)12-16-30(28)38(32(24)20-23)31-9-5-8-27-25-6-1-4-11-34(25)40-36(27)31/h1-20H
InChIKeyYTIBOLAQAGVJOE-UHFFFAOYSA-N
XLogP11.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.15
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
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
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
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 118534268
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole (CID 137493978) is 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole is Clc1ccc2c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n(-c3cccc4c3sc3ccccc34)c2c1.
What is the InChIKey of 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is YTIBOLAQAGVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20ClNS2/c37-23-14-15-24-28-18-21(22-13-17-35-29(19-22)26-7-2-3-10-33(26)39-35)12-16-30(28)38(32(24)20-23)31-9-5-8-27-25-6-1-4-11-34(25)40-36(27)31/h1-20H.
What are the key properties of 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole?
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 566.15 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 137493978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).