7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile

C39H19N3OS — CID 146355177

IUPAC7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3cc(-c4ccc(-c5ccc6c(c5)sc5ccc(C#N)cc56)cc4-c4ccccc4C#N)ccc3c2c1
InChIInChI=1S/C39H19N3OS/c40-20-23-5-13-36-34(15-23)31-11-9-27(18-37(31)43-36)30-10-7-25(17-33(30)29-4-2-1-3-28(29)22-42)26-8-12-32-35-16-24(21-41)6-14-38(35)44-39(32)19-26/h1-19H
InChIKeyDFTWQYOIRSQESI-UHFFFAOYSA-N
MW577.67 g/mol
LogP10.57
Rot. Bonds3

About 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile

7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile (PubChem CID 146355177) has the molecular formula C39H19N3OS and a molecular weight of 577.67 g/mol. Its IUPAC name is 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
PubChem CID146355177
Molecular FormulaC39H19N3OS
Molecular Weight577.67 g/mol
Exact Mass577.12
IUPAC Name7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3cc(-c4ccc(-c5ccc6c(c5)sc5ccc(C#N)cc56)cc4-c4ccccc4C#N)ccc3c2c1
InChIInChI=1S/C39H19N3OS/c40-20-23-5-13-36-34(15-23)31-11-9-27(18-37(31)43-36)30-10-7-25(17-33(30)29-4-2-1-3-28(29)22-42)26-8-12-32-35-16-24(21-41)6-14-38(35)44-39(32)19-26/h1-19H
InChIKeyDFTWQYOIRSQESI-UHFFFAOYSA-N
XLogP10.57
TPSA84.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile 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-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
8-[4-(2-cyanophenyl)-2-dibenzothiophen-2-ylphenyl]dibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-4-dibenzothiophen-3-yl-2-phenylbenzonitrile;2-(4-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-2-phenylphenyl)benzonitrile;3-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 160866332
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
8-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355023
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
8-[3-(8-cyanodibenzothiophen-3-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354955
8-[3-(2-cyanophenyl)-4-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile;2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;2-[2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)phenyl]benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-5-phenylbenzonitrile
CID 157239816
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
6-[3-(2-cyanophenyl)-4-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354094
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354620

Frequently Asked Questions

What is the IUPAC name of 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile (CID 146355177) is 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3cc(-c4ccc(-c5ccc6c(c5)sc5ccc(C#N)cc56)cc4-c4ccccc4C#N)ccc3c2c1.
What is the InChIKey of 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile?
The InChIKey is DFTWQYOIRSQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H19N3OS/c40-20-23-5-13-36-34(15-23)31-11-9-27(18-37(31)43-36)30-10-7-25(17-33(30)29-4-2-1-3-28(29)22-42)26-8-12-32-35-16-24(21-41)6-14-38(35)44-39(32)19-26/h1-19H.
What are the key properties of 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile?
7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile has a molecular weight of 577.67 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146355177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).