2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile

C39H19N3O2 — CID 146355240

IUPAC2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(-c2c(C#N)c(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1
InChIInChI=1S/C39H19N3O2/c40-20-23-7-5-8-25(17-23)38-33(21-41)30(24-15-16-37-32(18-24)27-10-2-3-13-35(27)43-37)19-31(34(38)22-42)29-12-6-11-28-26-9-1-4-14-36(26)44-39(28)29/h1-19H
InChIKeyCGJPCOPURVKJKC-UHFFFAOYSA-N
MW561.60 g/mol
LogP10.10
Rot. Bonds3

About 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile

2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile (PubChem CID 146355240) has the molecular formula C39H19N3O2 and a molecular weight of 561.60 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
PubChem CID146355240
Molecular FormulaC39H19N3O2
Molecular Weight561.60 g/mol
Exact Mass561.15
IUPAC Name2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(-c2c(C#N)c(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1
InChIInChI=1S/C39H19N3O2/c40-20-23-7-5-8-25(17-23)38-33(21-41)30(24-15-16-37-32(18-24)27-10-2-3-13-35(27)43-37)19-31(34(38)22-42)29-12-6-11-28-26-9-1-4-14-36(26)44-39(28)29/h1-19H
InChIKeyCGJPCOPURVKJKC-UHFFFAOYSA-N
XLogP10.10
TPSA97.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-[3,5-di(dibenzofuran-2-yl)-2,6-dimethylphenyl]benzonitrile
CID 146354557
3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355352
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
4-dibenzofuran-4-yl-2-dibenzothiophen-3-yl-6-phenylbenzene-1,3-dicarbonitrile
CID 146354979
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
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
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile (CID 146355240) is 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile is N#Cc1cccc(-c2c(C#N)c(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile?
The InChIKey is CGJPCOPURVKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H19N3O2/c40-20-23-7-5-8-25(17-23)38-33(21-41)30(24-15-16-37-32(18-24)27-10-2-3-13-35(27)43-37)19-31(34(38)22-42)29-12-6-11-28-26-9-1-4-14-36(26)44-39(28)29/h1-19H.
What are the key properties of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile?
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile has a molecular weight of 561.60 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 146355240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).