2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile

C44H24N2O2 — CID 90393112

IUPAC2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(C#N)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C44H24N2O2/c45-25-27-23-38(30-19-15-28(16-20-30)32-9-5-11-36-34-7-1-3-13-41(34)47-43(32)36)40(26-46)39(24-27)31-21-17-29(18-22-31)33-10-6-12-37-35-8-2-4-14-42(35)48-44(33)37/h1-24H
InChIKeyLKEIKCGNYXFGLU-UHFFFAOYSA-N
MW612.69 g/mol
LogP11.90
Rot. Bonds4

About 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile

2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile (PubChem CID 90393112) has the molecular formula C44H24N2O2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
PubChem CID90393112
Molecular FormulaC44H24N2O2
Molecular Weight612.69 g/mol
Exact Mass612.18
IUPAC Name2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(C#N)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C44H24N2O2/c45-25-27-23-38(30-19-15-28(16-20-30)32-9-5-11-36-34-7-1-3-13-41(34)47-43(32)36)40(26-46)39(24-27)31-21-17-29(18-22-31)33-10-6-12-37-35-8-2-4-14-42(35)48-44(33)37/h1-24H
InChIKeyLKEIKCGNYXFGLU-UHFFFAOYSA-N
XLogP11.90
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.69
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile (CID 90393112) is 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile is N#Cc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(C#N)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile?
The InChIKey is LKEIKCGNYXFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O2/c45-25-27-23-38(30-19-15-28(16-20-30)32-9-5-11-36-34-7-1-3-13-41(34)47-43(32)36)40(26-46)39(24-27)31-21-17-29(18-22-31)33-10-6-12-37-35-8-2-4-14-42(35)48-44(33)37/h1-24H.
What are the key properties of 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile?
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile has a molecular weight of 612.69 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 90393112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).