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

C38H20N2OS — CID 146355171

IUPAC2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1c(-c2cccc3c2oc2ccccc23)ccc(-c2cccc3c2sc2ccccc23)c1C#N
InChIInChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-24(23)36-28(30-14-7-13-29-26-11-3-5-17-34(26)41-37(29)30)20-19-25(33(36)22-40)31-15-8-16-32-27-12-4-6-18-35(27)42-38(31)32/h1-20H
InChIKeyWJXVNWKGYKNENJ-UHFFFAOYSA-N
MW552.66 g/mol
LogP10.70
Rot. Bonds3

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

2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile (PubChem CID 146355171) has the molecular formula C38H20N2OS and a molecular weight of 552.66 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
PubChem CID146355171
Molecular FormulaC38H20N2OS
Molecular Weight552.66 g/mol
Exact Mass552.13
IUPAC Name2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1c(-c2cccc3c2oc2ccccc23)ccc(-c2cccc3c2sc2ccccc23)c1C#N
InChIInChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-24(23)36-28(30-14-7-13-29-26-11-3-5-17-34(26)41-37(29)30)20-19-25(33(36)22-40)31-15-8-16-32-27-12-4-6-18-35(27)42-38(31)32/h1-20H
InChIKeyWJXVNWKGYKNENJ-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

2-(2-cyanophenyl)-3,6-di(dibenzothiophen-4-yl)benzonitrile
CID 146355019
2-(2-cyanophenyl)-4-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile
CID 146354189
3-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)benzene-1,2-dicarbonitrile
CID 146354161
4-(4-cyano-2-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355636
3,6-di(dibenzothiophen-4-yl)-2-phenylbenzonitrile
CID 146354066
4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(dibenzofuran-4-yl)benzene-1,2-dicarbonitrile
CID 167209249
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
7-[2-(3-cyanophenyl)-3-dibenzothiophen-4-ylphenyl]dibenzofuran-2-carbonitrile;2-(2-dibenzofuran-3-yl-6-dibenzothiophen-4-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)benzonitrile;3-(2-dibenzofuran-4-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile;2-[3-(2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159656811
4-dibenzofuran-4-yl-2-dibenzothiophen-3-yl-6-phenylbenzene-1,3-dicarbonitrile
CID 146354979
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
10-dibenzofuran-4-yl-22-dibenzothiophen-4-yl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856617

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile (CID 146355171) is 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile is N#Cc1ccccc1-c1c(-c2cccc3c2oc2ccccc23)ccc(-c2cccc3c2sc2ccccc23)c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
The InChIKey is WJXVNWKGYKNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2OS/c39-21-23-9-1-2-10-24(23)36-28(30-14-7-13-29-26-11-3-5-17-34(26)41-37(29)30)20-19-25(33(36)22-40)31-15-8-16-32-27-12-4-6-18-35(27)42-38(31)32/h1-20H.
What are the key properties of 2-(2-cyanophenyl)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile?
2-(2-cyanophenyl)-3-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)-3-dibenzofuran-4-yl-6-dibenzothiophen-4-ylbenzonitrile is sourced from PubChem (CID 146355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).