6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

C38H20N2O2 — CID 146354689

IUPAC6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3c(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cccc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-12-15-36-34(16-23)33-10-5-9-30(38(33)42-36)28-18-26(17-27(19-28)29-7-2-1-6-25(29)22-40)24-13-14-32-31-8-3-4-11-35(31)41-37(32)20-24/h1-20H
InChIKeyIYRAUTIHLCLBPD-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146354689) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146354689
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3c(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cccc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-12-15-36-34(16-23)33-10-5-9-30(38(33)42-36)28-18-26(17-27(19-28)29-7-2-1-6-25(29)22-40)24-13-14-32-31-8-3-4-11-35(31)41-37(32)20-24/h1-20H
InChIKeyIYRAUTIHLCLBPD-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

8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354706
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354641
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (CID 146354689) is 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3c(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cccc3c2c1.
What is the InChIKey of 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is IYRAUTIHLCLBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-12-15-36-34(16-23)33-10-5-9-30(38(33)42-36)28-18-26(17-27(19-28)29-7-2-1-6-25(29)22-40)24-13-14-32-31-8-3-4-11-35(31)41-37(32)20-24/h1-20H.
What are the key properties of 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-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 6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146354689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).