9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile

C38H20N2O2 — CID 146354706

IUPAC9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3cccc(-c4cc(-c5ccccc5C#N)cc(-c5cccc6c5oc5ccccc56)c4)c3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-15-16-35-33(17-23)37-29(10-6-14-36(37)41-35)26-18-25(28-8-2-1-7-24(28)22-40)19-27(20-26)30-11-5-12-32-31-9-3-4-13-34(31)42-38(30)32/h1-20H
InChIKeyHELBYUWVVKXQLN-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile

9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146354706) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146354706
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3cccc(-c4cc(-c5ccccc5C#N)cc(-c5cccc6c5oc5ccccc56)c4)c3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-15-16-35-33(17-23)37-29(10-6-14-36(37)41-35)26-18-25(28-8-2-1-7-24(28)22-40)19-27(20-26)30-11-5-12-32-31-9-3-4-13-34(31)42-38(30)32/h1-20H
InChIKeyHELBYUWVVKXQLN-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

4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 146353844
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
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
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile (CID 146354706) is 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3cccc(-c4cc(-c5ccccc5C#N)cc(-c5cccc6c5oc5ccccc56)c4)c3c2c1.
What is the InChIKey of 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is HELBYUWVVKXQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-15-16-35-33(17-23)37-29(10-6-14-36(37)41-35)26-18-25(28-8-2-1-7-24(28)22-40)19-27(20-26)30-11-5-12-32-31-9-3-4-13-34(31)42-38(30)32/h1-20H.
What are the key properties of 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile?
9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile 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 9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146354706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).