8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

C38H20N2O2 — CID 146353784

IUPAC8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-9-13-36-33(15-23)34-19-24(11-14-37(34)41-36)27-16-28(18-29(17-27)30-6-2-1-5-26(30)22-40)25-10-12-32-31-7-3-4-8-35(31)42-38(32)20-25/h1-20H
InChIKeyKWWZRAGSKDNEIS-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146353784) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146353784
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cc3c2c1
InChIInChI=1S/C38H20N2O2/c39-21-23-9-13-36-33(15-23)34-19-24(11-14-37(34)41-36)27-16-28(18-29(17-27)30-6-2-1-5-26(30)22-40)25-10-12-32-31-7-3-4-8-35(31)42-38(32)20-25/h1-20H
InChIKeyKWWZRAGSKDNEIS-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-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
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
8-[3-(2-cyanophenyl)-4-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile;2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;2-[2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)phenyl]benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-5-phenylbenzonitrile
CID 157239816
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
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-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (CID 146353784) is 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccccc5C#N)c4)cc3c2c1.
What is the InChIKey of 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is KWWZRAGSKDNEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-9-13-36-33(15-23)34-19-24(11-14-37(34)41-36)27-16-28(18-29(17-27)30-6-2-1-5-26(30)22-40)25-10-12-32-31-7-3-4-8-35(31)42-38(32)20-25/h1-20H.
What are the key properties of 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
8-[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 8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146353784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).