4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile

C38H20N2O2 — CID 146353844

IUPAC4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)c(C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-15-16-28(27(17-23)22-40)24-18-25(29-9-6-14-36-37(29)33-8-2-4-13-35(33)41-36)20-26(19-24)30-10-5-11-32-31-7-1-3-12-34(31)42-38(30)32/h1-20H
InChIKeyCBXQZXSMUPVVKO-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile

4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 146353844) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
PubChem CID146353844
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)c(C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-15-16-28(27(17-23)22-40)24-18-25(29-9-6-14-36-37(29)33-8-2-4-13-35(33)41-36)20-26(19-24)30-10-5-11-32-31-7-1-3-12-34(31)42-38(30)32/h1-20H
InChIKeyCBXQZXSMUPVVKO-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

9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354706
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355148
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
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
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
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-[4-(3-cyano-5-dibenzofuran-4-ylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;5-[3-(3-cyano-4-dibenzofuran-4-ylphenyl)phenyl]-2-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-phenylphenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(4-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-dibenzofuran-4-yl-5-[4-(3-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[3-(3-dibenzofuran-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159814900

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile (CID 146353844) is 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)c(C#N)c1.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile?
The InChIKey is CBXQZXSMUPVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-15-16-28(27(17-23)22-40)24-18-25(29-9-6-14-36-37(29)33-8-2-4-13-35(33)41-36)20-26(19-24)30-10-5-11-32-31-7-1-3-12-34(31)42-38(30)32/h1-20H.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile?
4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile 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-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146353844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).