3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile

C31H18N2S — CID 126577540

IUPAC3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H18N2S/c32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h1-18H
InChIKeyKCSQZNBAZCJZOX-UHFFFAOYSA-N
MW450.57 g/mol
LogP8.69
Rot. Bonds2

About 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile

3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile (PubChem CID 126577540) has the molecular formula C31H18N2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
PubChem CID126577540
Molecular FormulaC31H18N2S
Molecular Weight450.57 g/mol
Exact Mass450.12
IUPAC Name3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H18N2S/c32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h1-18H
InChIKeyKCSQZNBAZCJZOX-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

Analyze 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
CID 126577608
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
4-dibenzothiophen-3-ylbenzene-1,3-dicarbonitrile
CID 156576874
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292
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
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
3-(3-isocyanocarbazol-9-yl)-4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)benzonitrile
CID 153462829
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile?
The IUPAC name of 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile (CID 126577540) is 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile?
The canonical SMILES for 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile is N#Cc1ccc(-c2ccc3c(c2)sc2ccccc23)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile?
The InChIKey is KCSQZNBAZCJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2S/c32-19-20-13-15-22(21-14-16-26-25-9-3-6-12-30(25)34-31(26)18-21)29(17-20)33-27-10-4-1-7-23(27)24-8-2-5-11-28(24)33/h1-18H.
What are the key properties of 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile?
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile 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 3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile is sourced from PubChem (CID 126577540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).