4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile

C38H20N2O2 — CID 146354641

IUPAC4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2)c(C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-9-12-30(29(15-23)22-40)28-17-26(24-10-13-33-31-5-1-3-7-35(31)41-37(33)19-24)16-27(18-28)25-11-14-34-32-6-2-4-8-36(32)42-38(34)20-25/h1-20H
InChIKeyZDPDDXXEDXVNHY-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile

4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 146354641) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID146354641
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2)c(C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-9-12-30(29(15-23)22-40)28-17-26(24-10-13-33-31-5-1-3-7-35(31)41-37(33)19-24)16-27(18-28)25-11-14-34-32-6-2-4-8-36(32)42-38(34)20-25/h1-20H
InChIKeyZDPDDXXEDXVNHY-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
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 146353844
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355148

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile (CID 146354641) is 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)oc3ccccc34)c2)c(C#N)c1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is ZDPDDXXEDXVNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-9-12-30(29(15-23)22-40)28-17-26(24-10-13-33-31-5-1-3-7-35(31)41-37(33)19-24)16-27(18-28)25-11-14-34-32-6-2-4-8-36(32)42-38(34)20-25/h1-20H.
What are the key properties of 4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile?
4-[3,5-di(dibenzofuran-3-yl)phenyl]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-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146354641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).