8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile

C31H18N2S — CID 126577581

IUPAC8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C31H18N2S/c32-19-20-13-15-25-26-18-21(14-16-30(26)34-31(25)17-20)22-7-1-4-10-27(22)33-28-11-5-2-8-23(28)24-9-3-6-12-29(24)33/h1-18H
InChIKeySEGNIXYQJJJTOH-UHFFFAOYSA-N
MW450.57 g/mol
LogP8.69
Rot. Bonds2

About 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile

8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile (PubChem CID 126577581) has the molecular formula C31H18N2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
PubChem CID126577581
Molecular FormulaC31H18N2S
Molecular Weight450.57 g/mol
Exact Mass450.12
IUPAC Name8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C31H18N2S/c32-19-20-13-15-25-26-18-21(14-16-30(26)34-31(25)17-20)22-7-1-4-10-27(22)33-28-11-5-2-8-23(28)24-9-3-6-12-29(24)33/h1-18H
InChIKeySEGNIXYQJJJTOH-UHFFFAOYSA-N
XLogP8.69
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
8-(2-carbazol-9-yl-3-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-4-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-5-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-6-cyanophenyl)dibenzothiophene-2-carbonitrile;7-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 163831971
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
2-carbazol-9-yl-3-(3-cyano-4-dibenzothiophen-2-ylphenyl)benzonitrile;2-carbazol-9-yl-3-(4-dibenzothiophen-2-ylphenyl)benzonitrile;5-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile;9-[2-cyano-6-(4-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 158583627
2-[8-(2-carbazol-9-ylphenyl)dibenzothiophen-2-yl]benzonitrile;9-(2-dibenzofuran-2-ylphenyl)carbazole-4-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-1-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-2-carbonitrile;9-(2-dibenzothiophen-2-ylphenyl)carbazole-4-carbonitrile
CID 159772841
2-carbazol-9-yl-3-(4-cyano-3-dibenzothiophen-2-ylphenyl)benzonitrile;3-(2-carbazol-9-ylphenyl)-5-dibenzothiophen-2-ylbenzonitrile;4-(2-carbazol-9-ylphenyl)-2-dibenzothiophen-2-ylbenzonitrile
CID 163585093
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971
4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 126610460
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949

Frequently Asked Questions

What is the IUPAC name of 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile?
The IUPAC name of 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile (CID 126577581) is 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile.
What is the SMILES notation for 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile?
The canonical SMILES for 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile is N#Cc1ccc2c(c1)sc1ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile?
The InChIKey is SEGNIXYQJJJTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2S/c32-19-20-13-15-25-26-18-21(14-16-30(26)34-31(25)17-20)22-7-1-4-10-27(22)33-28-11-5-2-8-23(28)24-9-3-6-12-29(24)33/h1-18H.
What are the key properties of 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile?
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile has a molecular weight of 450.57 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile is sourced from PubChem (CID 126577581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).