4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile

C38H20N2O2 — CID 146353814

IUPAC4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C38H20N2O2/c39-21-23-12-14-24(15-13-23)26-18-32(25-16-17-29-27-6-1-3-10-35(27)41-37(29)20-25)34(22-40)33(19-26)31-9-5-8-30-28-7-2-4-11-36(28)42-38(30)31/h1-20H
InChIKeyYFCAODFUVKNHTR-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile

4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile (PubChem CID 146353814) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
PubChem CID146353814
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C38H20N2O2/c39-21-23-12-14-24(15-13-23)26-18-32(25-16-17-29-27-6-1-3-10-35(27)41-37(29)20-25)34(22-40)33(19-26)31-9-5-8-30-28-7-2-4-11-36(28)42-38(30)31/h1-20H
InChIKeyYFCAODFUVKNHTR-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-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
4-[9-(4-cyanophenyl)dibenzofuran-3-yl]-2-phenyl-6-(4-phenylphenyl)benzonitrile
CID 176994591
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile?
The IUPAC name of 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile (CID 146353814) is 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile.
What is the SMILES notation for 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile?
The canonical SMILES for 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile is N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)c(C#N)c(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile?
The InChIKey is YFCAODFUVKNHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-12-14-24(15-13-23)26-18-32(25-16-17-29-27-6-1-3-10-35(27)41-37(29)20-25)34(22-40)33(19-26)31-9-5-8-30-28-7-2-4-11-36(28)42-38(30)31/h1-20H.
What are the key properties of 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile?
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-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 4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile is sourced from PubChem (CID 146353814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).