9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole

C36H22N2S — CID 59348313

IUPAC9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C36H22N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-22H
InChIKeySDHNJSIZTIODFW-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole

9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole (PubChem CID 59348313) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
PubChem CID59348313
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C36H22N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-22H
InChIKeySDHNJSIZTIODFW-UHFFFAOYSA-N
XLogP10.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 144619443
CID 144619443
(8-carbazol-9-yldibenzothiophen-2-yl)boronic acid
CID 86730009
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-(27-carbazol-9-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)carbazole
CID 90347227
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole (CID 59348313) is 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole?
The InChIKey is SDHNJSIZTIODFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)39-35)38-33-15-7-3-11-27(33)28-12-4-8-16-34(28)38/h1-22H.
What are the key properties of 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole?
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole has a molecular weight of 514.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 59348313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).