2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile

C38H20N2S2 — CID 146354939

IUPAC2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3sc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2S2/c39-21-25-7-1-2-8-27(25)32-19-26(23-13-15-30-28-9-3-5-11-35(28)42-38(30)20-23)18-31(34(32)22-40)24-14-16-37-33(17-24)29-10-4-6-12-36(29)41-37/h1-20H
InChIKeyINHOEPDHWQZHBN-UHFFFAOYSA-N
MW568.73 g/mol
LogP11.17
Rot. Bonds3

About 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile

2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile (PubChem CID 146354939) has the molecular formula C38H20N2S2 and a molecular weight of 568.73 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
PubChem CID146354939
Molecular FormulaC38H20N2S2
Molecular Weight568.73 g/mol
Exact Mass568.11
IUPAC Name2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3sc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2S2/c39-21-25-7-1-2-8-27(25)32-19-26(23-13-15-30-28-9-3-5-11-35(28)42-38(30)20-23)18-31(34(32)22-40)24-14-16-37-33(17-24)29-10-4-6-12-36(29)41-37/h1-20H
InChIKeyINHOEPDHWQZHBN-UHFFFAOYSA-N
XLogP11.17
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.73
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-cyano-3,5-di(dibenzothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146355381
2-[3-(2-cyanophenyl)-5-(3-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)phenyl]benzonitrile
CID 146355461
2-[4-cyano-3,5-di(dibenzothiophen-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146355370
2-[2-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
CID 146354834
2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-3-yl)phenyl]phenyl]benzonitrile
CID 146355434
4-(4-cyanophenyl)-2,6-di(dibenzothiophen-3-yl)benzonitrile
CID 146354659
3-(2-dibenzothiophen-2-ylphenyl)benzene-1,2-dicarbonitrile
CID 122433644
4-dibenzothiophen-3-yl-2-dibenzothiophen-4-yl-6-phenylbenzonitrile
CID 146355494
8-[3-(8-cyanodibenzothiophen-3-yl)-5-(2-cyanophenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354955
2-(3-cyanophenyl)-4-dibenzothiophen-3-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146355505
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-2-ylbenzonitrile
CID 146354116
2-(3-cyanophenyl)-6-dibenzothiophen-1-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 146355521

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile (CID 146354939) is 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3sc4ccccc4c3c2)c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile?
The InChIKey is INHOEPDHWQZHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2S2/c39-21-25-7-1-2-8-27(25)32-19-26(23-13-15-30-28-9-3-5-11-35(28)42-38(30)20-23)18-31(34(32)22-40)24-14-16-37-33(17-24)29-10-4-6-12-36(29)41-37/h1-20H.
What are the key properties of 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile?
2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile has a molecular weight of 568.73 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-6-dibenzothiophen-2-yl-4-dibenzothiophen-3-ylbenzonitrile is sourced from PubChem (CID 146354939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).