2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile

C38H20N2O2 — CID 146353825

IUPAC2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2O2/c39-21-24-8-1-2-9-26(24)32-20-25(27-12-7-13-30-28-10-3-6-15-36(28)42-38(27)30)19-31(34(32)22-40)23-16-17-37-33(18-23)29-11-4-5-14-35(29)41-37/h1-20H
InChIKeyUWIBIFVPZDMHGM-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile

2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile (PubChem CID 146353825) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
PubChem CID146353825
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2O2/c39-21-24-8-1-2-9-26(24)32-20-25(27-12-7-13-30-28-10-3-6-15-36(28)42-38(27)30)19-31(34(32)22-40)23-16-17-37-33(18-23)29-11-4-5-14-35(29)41-37/h1-20H
InChIKeyUWIBIFVPZDMHGM-UHFFFAOYSA-N
XLogP10.23
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
2-(2-cyanophenyl)-4-dibenzofuran-1-yl-6-dibenzofuran-4-ylbenzonitrile;2-(2-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzofuran-4-ylbenzonitrile;2-(3-cyanophenyl)-6-dibenzofuran-1-yl-4-dibenzofuran-4-ylbenzonitrile;4-(2-cyanophenyl)-2-dibenzofuran-1-yl-6-dibenzofuran-4-ylbenzonitrile;2-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 159057722
2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146354189
8-[3-(8-cyanodibenzofuran-2-yl)-5-[2-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile;4-[3-(7-cyanodibenzofuran-2-yl)-5-dibenzofuran-2-ylphenyl]-5-phenylbenzene-1,3-dicarbonitrile;8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile;2-[3-dibenzofuran-2-yl-5-(8-phenyldibenzofuran-2-yl)phenyl]-3-phenylbenzonitrile;4-dibenzofuran-2-yl-2-(6-phenyldibenzofuran-2-yl)-6-(2-phenylphenyl)benzonitrile
CID 157052596
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile (CID 146353825) is 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile is N#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile?
The InChIKey is UWIBIFVPZDMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-24-8-1-2-9-26(24)32-20-25(27-12-7-13-30-28-10-3-6-15-36(28)42-38(27)30)19-31(34(32)22-40)23-16-17-37-33(18-23)29-11-4-5-14-35(29)41-37/h1-20H.
What are the key properties of 2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile?
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile has a molecular weight of 536.59 g/mol, XLogP of 10.23, 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-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile is sourced from PubChem (CID 146353825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).