3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

C37H21NO2 — CID 146354479

IUPAC3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C37H21NO2/c38-22-23-7-5-8-24(17-23)26-18-27(25-15-16-32-30-9-1-3-13-34(30)39-36(32)21-25)20-28(19-26)29-11-6-12-33-31-10-2-4-14-35(31)40-37(29)33/h1-21H
InChIKeyCDBFZMCIUVHICH-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 146354479) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID146354479
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C37H21NO2/c38-22-23-7-5-8-24(17-23)26-18-27(25-15-16-32-30-9-1-3-13-34(30)39-36(32)21-25)20-28(19-26)29-11-6-12-33-31-10-2-4-14-35(31)40-37(29)33/h1-21H
InChIKeyCDBFZMCIUVHICH-UHFFFAOYSA-N
XLogP10.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile 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

6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
2-(4-dibenzofuran-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159714713
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
3-(3-dibenzofuran-3-yl-5-dibenzothiophen-4-ylphenyl)benzonitrile
CID 146354219

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (CID 146354479) is 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1.
What is the InChIKey of 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is CDBFZMCIUVHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-23-7-5-8-24(17-23)26-18-27(25-15-16-32-30-9-1-3-13-34(30)39-36(32)21-25)20-28(19-26)29-11-6-12-33-31-10-2-4-14-35(31)40-37(29)33/h1-21H.
What are the key properties of 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile has a molecular weight of 511.58 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 146354479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).