3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile

C20H8F2N2O — CID 163479333

IUPAC3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(F)c(C#N)c(-c2cccc3c2oc2ccccc23)c1F
InChIInChI=1S/C20H8F2N2O/c21-16-8-11(9-23)19(22)18(15(16)10-24)14-6-3-5-13-12-4-1-2-7-17(12)25-20(13)14/h1-8H
InChIKeyCDEAQEALEQUJJI-UHFFFAOYSA-N
MW330.29 g/mol
LogP5.27
Rot. Bonds1

About 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile

3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile (PubChem CID 163479333) has the molecular formula C20H8F2N2O and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile
PubChem CID163479333
Molecular FormulaC20H8F2N2O
Molecular Weight330.29 g/mol
Exact Mass330.06
IUPAC Name3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(F)c(C#N)c(-c2cccc3c2oc2ccccc23)c1F
InChIInChI=1S/C20H8F2N2O/c21-16-8-11(9-23)19(22)18(15(16)10-24)14-6-3-5-13-12-4-1-2-7-17(12)25-20(13)14/h1-8H
InChIKeyCDEAQEALEQUJJI-UHFFFAOYSA-N
XLogP5.27
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile 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

2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
2-dibenzofuran-4-yl-4-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118920574
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146355171
4-anthracen-9-yldibenzofuran
CID 167187282
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
3-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)benzene-1,2-dicarbonitrile
CID 146354161
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile?
The IUPAC name of 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile (CID 163479333) is 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile.
What is the SMILES notation for 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile?
The canonical SMILES for 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile is N#Cc1cc(F)c(C#N)c(-c2cccc3c2oc2ccccc23)c1F.
What is the InChIKey of 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile?
The InChIKey is CDEAQEALEQUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8F2N2O/c21-16-8-11(9-23)19(22)18(15(16)10-24)14-6-3-5-13-12-4-1-2-7-17(12)25-20(13)14/h1-8H.
What are the key properties of 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile?
3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile has a molecular weight of 330.29 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-2,5-difluorobenzene-1,4-dicarbonitrile is sourced from PubChem (CID 163479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).