2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile

C38H20N2O2 — CID 146354517

IUPAC2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2ccc3oc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2O2/c39-21-25-7-1-2-8-27(25)38-28(24-14-18-37-32(20-24)30-10-4-6-12-35(30)42-37)16-15-26(33(38)22-40)23-13-17-36-31(19-23)29-9-3-5-11-34(29)41-36/h1-20H
InChIKeyDILLUKSUTGPZGR-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile

2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile (PubChem CID 146354517) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
PubChem CID146354517
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2ccc3oc4ccccc4c3c2)c1C#N
InChIInChI=1S/C38H20N2O2/c39-21-25-7-1-2-8-27(25)38-28(24-14-18-37-32(20-24)30-10-4-6-12-35(30)42-37)16-15-26(33(38)22-40)23-13-17-36-31(19-23)29-9-3-5-11-34(29)41-36/h1-20H
InChIKeyDILLUKSUTGPZGR-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-[2-cyano-3,6-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354711
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile (CID 146354517) is 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile is N#Cc1ccccc1-c1c(-c2ccc3oc4ccccc4c3c2)ccc(-c2ccc3oc4ccccc4c3c2)c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile?
The InChIKey is DILLUKSUTGPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-25-7-1-2-8-27(25)38-28(24-14-18-37-32(20-24)30-10-4-6-12-35(30)42-37)16-15-26(33(38)22-40)23-13-17-36-31(19-23)29-9-3-5-11-34(29)41-36/h1-20H.
What are the key properties of 2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile?
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile 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)-3,6-di(dibenzofuran-2-yl)benzonitrile is sourced from PubChem (CID 146354517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).