9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole

C36H21NS2 — CID 170688535

IUPAC9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)cc12
InChIInChI=1S/C36H21NS2/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-34-29(21-23)36-24(11-7-15-35(36)39-34)22-16-18-33-28(20-22)27-10-3-6-14-32(27)38-33/h1-21H
InChIKeyJGFPDHUKGBPWQD-UHFFFAOYSA-N
MW531.71 g/mol
LogP11.19
Rot. Bonds2

About 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole

9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole (PubChem CID 170688535) has the molecular formula C36H21NS2 and a molecular weight of 531.71 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
PubChem CID170688535
Molecular FormulaC36H21NS2
Molecular Weight531.71 g/mol
Exact Mass531.11
IUPAC Name9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)cc12
InChIInChI=1S/C36H21NS2/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-34-29(21-23)36-24(11-7-15-35(36)39-34)22-16-18-33-28(20-22)27-10-3-6-14-32(27)38-33/h1-21H
InChIKeyJGFPDHUKGBPWQD-UHFFFAOYSA-N
XLogP11.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.71
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169011469
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole (CID 170688535) is 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole is c1ccc2c(c1)sc1ccc(-c3cccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)cc12.
What is the InChIKey of 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The InChIKey is JGFPDHUKGBPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NS2/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-34-29(21-23)36-24(11-7-15-35(36)39-34)22-16-18-33-28(20-22)27-10-3-6-14-32(27)38-33/h1-21H.
What are the key properties of 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole has a molecular weight of 531.71 g/mol, XLogP of 11.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 170688535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).