2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile

C37H21NO2 — CID 146355346

IUPAC2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)cccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C37H21NO2/c38-22-24-9-1-2-10-26(24)36-25(23-19-20-34-31(21-23)27-11-3-5-16-32(27)39-34)13-7-14-28(36)29-15-8-18-35-37(29)30-12-4-6-17-33(30)40-35/h1-21H
InChIKeyMMGFKKHJJHWECL-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile

2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile (PubChem CID 146355346) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
PubChem CID146355346
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)cccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C37H21NO2/c38-22-24-9-1-2-10-26(24)36-25(23-19-20-34-31(21-23)27-11-3-5-16-32(27)39-34)13-7-14-28(36)29-15-8-18-35-37(29)30-12-4-6-17-33(30)40-35/h1-21H
InChIKeyMMGFKKHJJHWECL-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 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-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

2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355352
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
2-[2-cyano-3,6-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354711
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The IUPAC name of 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile (CID 146355346) is 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The canonical SMILES for 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile is N#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)cccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The InChIKey is MMGFKKHJJHWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-24-9-1-2-10-26(24)36-25(23-19-20-34-31(21-23)27-11-3-5-16-32(27)39-34)13-7-14-28(36)29-15-8-18-35-37(29)30-12-4-6-17-33(30)40-35/h1-21H.
What are the key properties of 2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-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-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile is sourced from PubChem (CID 146355346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).