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

C38H20N2O2 — CID 146355229

IUPAC2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-7-5-8-25(17-23)31-19-26(24-15-16-37-33(18-24)28-10-2-3-13-35(28)41-37)20-32(34(31)22-40)30-12-6-11-29-27-9-1-4-14-36(27)42-38(29)30/h1-20H
InChIKeyLXMHRJYCMKETFN-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

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

2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile (PubChem CID 146355229) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
PubChem CID146355229
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-7-5-8-25(17-23)31-19-26(24-15-16-37-33(18-24)28-10-2-3-13-35(28)41-37)20-32(34(31)22-40)30-12-6-11-29-27-9-1-4-14-36(27)42-38(29)30/h1-20H
InChIKeyLXMHRJYCMKETFN-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-ylbenzene-1,3-dicarbonitrile
CID 146355240
4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146353814
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
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
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
CID 146353730
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
2,6-bis(4-dibenzofuran-4-ylphenyl)benzene-1,4-dicarbonitrile
CID 90393112
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile?
The IUPAC name of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile (CID 146355229) is 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile.
What is the SMILES notation for 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile?
The canonical SMILES for 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile is N#Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile?
The InChIKey is LXMHRJYCMKETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-7-5-8-25(17-23)31-19-26(24-15-16-37-33(18-24)28-10-2-3-13-35(28)41-37)20-32(34(31)22-40)30-12-6-11-29-27-9-1-4-14-36(27)42-38(29)30/h1-20H.
What are the key properties of 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile?
2-(3-cyanophenyl)-4-dibenzofuran-2-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 2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile is sourced from PubChem (CID 146355229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).