5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile

C38H20N2OS — CID 146355100

IUPAC5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1
InChIInChI=1S/C38H20N2OS/c39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38/h1-20H
InChIKeyIVWXNCNQQPXZJC-UHFFFAOYSA-N
MW552.66 g/mol
LogP10.70
Rot. Bonds3

About 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile

5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 146355100) has the molecular formula C38H20N2OS and a molecular weight of 552.66 g/mol. Its IUPAC name is 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
PubChem CID146355100
Molecular FormulaC38H20N2OS
Molecular Weight552.66 g/mol
Exact Mass552.13
IUPAC Name5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1
InChIInChI=1S/C38H20N2OS/c39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38/h1-20H
InChIKeyIVWXNCNQQPXZJC-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

5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-(2-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;4-(2-cyanophenyl)-2-dibenzofuran-2-yl-6-dibenzothiophen-2-ylbenzonitrile;4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,2-dicarbonitrile;5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 160768562
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 167653398
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 146355648
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677

Frequently Asked Questions

What is the IUPAC name of 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile (CID 146355100) is 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1.
What is the InChIKey of 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile?
The InChIKey is IVWXNCNQQPXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2OS/c39-21-23-13-24(22-40)15-27(14-23)30-17-28(25-9-11-36-33(19-25)31-5-1-3-7-35(31)41-36)16-29(18-30)26-10-12-38-34(20-26)32-6-2-4-8-37(32)42-38/h1-20H.
What are the key properties of 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile?
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile 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 5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146355100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).