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

C38H20N2OS — CID 146354189

IUPAC2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2sc2ccccc23)c1C#N
InChIInChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-25(23)32-19-24(26-13-7-14-29-27-11-3-5-17-35(27)41-37(26)29)20-33(34(32)22-40)31-16-8-15-30-28-12-4-6-18-36(28)42-38(30)31/h1-20H
InChIKeyLUZGSDHJMFAQTK-UHFFFAOYSA-N
MW552.66 g/mol
LogP10.70
Rot. Bonds3

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

2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile (PubChem CID 146354189) has the molecular formula C38H20N2OS and a molecular weight of 552.66 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
PubChem CID146354189
Molecular FormulaC38H20N2OS
Molecular Weight552.66 g/mol
Exact Mass552.13
IUPAC Name2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2sc2ccccc23)c1C#N
InChIInChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-25(23)32-19-24(26-13-7-14-29-27-11-3-5-17-35(27)41-37(26)29)20-33(34(32)22-40)31-16-8-15-30-28-12-4-6-18-36(28)42-38(30)31/h1-20H
InChIKeyLUZGSDHJMFAQTK-UHFFFAOYSA-N
XLogP10.70
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)benzene-1,2-dicarbonitrile
CID 146354161
2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146355171
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
4-(4-cyano-2-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355636
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
8-[3-(2-cyanophenyl)-4-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355023
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
CID 160970567
2-(2-cyanophenyl)-3,6-di(dibenzothiophen-4-yl)benzonitrile
CID 146355019
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile (CID 146354189) is 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile is N#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2sc2ccccc23)c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The InChIKey is LUZGSDHJMFAQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-25(23)32-19-24(26-13-7-14-29-27-11-3-5-17-35(27)41-37(26)29)20-33(34(32)22-40)31-16-8-15-30-28-12-4-6-18-36(28)42-38(30)31/h1-20H.
What are the key properties of 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile has a molecular weight of 552.66 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile is sourced from PubChem (CID 146354189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).