2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

C37H21NO2 — CID 146354480

IUPAC2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C37H21NO2/c38-22-24-8-1-2-9-28(24)26-18-25(23-16-17-32-30-10-3-5-14-34(30)39-36(32)21-23)19-27(20-26)29-12-7-13-33-31-11-4-6-15-35(31)40-37(29)33/h1-21H
InChIKeyKEBFIZJHYABQTP-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 146354480) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID146354480
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C37H21NO2/c38-22-24-8-1-2-9-28(24)26-18-25(23-16-17-32-30-10-3-5-14-34(30)39-36(32)21-23)19-27(20-26)29-12-7-13-33-31-11-4-6-15-35(31)40-37(29)33/h1-21H
InChIKeyKEBFIZJHYABQTP-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

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Related Compounds

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-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354706
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354641
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (CID 146354480) is 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is KEBFIZJHYABQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-24-8-1-2-9-28(24)26-18-25(23-16-17-32-30-10-3-5-14-34(30)39-36(32)21-23)19-27(20-26)29-12-7-13-33-31-11-4-6-15-35(31)40-37(29)33/h1-21H.
What are the key properties of 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
2-(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 2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 146354480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).