2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile

C37H21N3S — CID 155131777

IUPAC2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc2c(sc3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H21N3S/c38-22-29-34(39-30-16-6-1-11-23(30)24-12-2-7-17-31(24)39)21-28-27-15-5-10-20-35(27)41-37(28)36(29)40-32-18-8-3-13-25(32)26-14-4-9-19-33(26)40/h1-21H
InChIKeyHHDYRGVKFIOFIM-UHFFFAOYSA-N
MW539.66 g/mol
LogP10.12
Rot. Bonds2

About 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile

2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile (PubChem CID 155131777) has the molecular formula C37H21N3S and a molecular weight of 539.66 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile
PubChem CID155131777
Molecular FormulaC37H21N3S
Molecular Weight539.66 g/mol
Exact Mass539.15
IUPAC Name2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc2c(sc3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H21N3S/c38-22-29-34(39-30-16-6-1-11-23(30)24-12-2-7-17-31(24)39)21-28-27-15-5-10-20-35(27)41-37(28)36(29)40-32-18-8-3-13-25(32)26-14-4-9-19-33(26)40/h1-21H
InChIKeyHHDYRGVKFIOFIM-UHFFFAOYSA-N
XLogP10.12
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-di(carbazol-9-yl)dibenzothiophene-1-carbonitrile
CID 155131519
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
2,3-bis([1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 166572494
2-[(2-carbazol-9-ylphenyl)methyl]dibenzothiophene-4-carbonitrile
CID 170517456
2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,5-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-3,6-di(carbazol-9-yl)benzene-1,4-dicarbonitrile
CID 158184322
4,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-2,5-di(dibenzothiophen-3-yl)benzene-1,3-dicarbonitrile
CID 167209021
2,3,5-tri(carbazol-9-yl)-6-(3-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166567186
2,3,5-tri(carbazol-9-yl)-6-[2-(2-naphthalen-1-ylphenyl)-[1]benzothiolo[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 166567200
2,3,5-tri(carbazol-9-yl)-6-[2-(3-phenylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 166566938
2-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-1,3-dicarbonitrile
CID 146563528
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(3-cyano-5-methylphenyl)benzonitrile
CID 158766989
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 154959702

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile?
The IUPAC name of 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile (CID 155131777) is 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile.
What is the SMILES notation for 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile?
The canonical SMILES for 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc2c(sc3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile?
The InChIKey is HHDYRGVKFIOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3S/c38-22-29-34(39-30-16-6-1-11-23(30)24-12-2-7-17-31(24)39)21-28-27-15-5-10-20-35(27)41-37(28)36(29)40-32-18-8-3-13-25(32)26-14-4-9-19-33(26)40/h1-21H.
What are the key properties of 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile?
2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile has a molecular weight of 539.66 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(carbazol-9-yl)dibenzothiophene-3-carbonitrile is sourced from PubChem (CID 155131777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).