3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile

C37H21NOS — CID 146355675

IUPAC3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)c(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C37H21NOS/c38-22-23-6-5-7-24(18-23)25-12-15-28(26-14-17-37-33(21-26)30-9-2-4-11-36(30)40-37)31(19-25)27-13-16-35-32(20-27)29-8-1-3-10-34(29)39-35/h1-21H
InChIKeyPYCUXMWCUJHIMN-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.83
Rot. Bonds3

About 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile

3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile (PubChem CID 146355675) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
PubChem CID146355675
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)c(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C37H21NOS/c38-22-23-6-5-7-24(18-23)25-12-15-28(26-14-17-37-33(21-26)30-9-2-4-11-36(30)40-37)31(19-25)27-13-16-35-32(20-27)29-8-1-3-10-34(29)39-35/h1-21H
InChIKeyPYCUXMWCUJHIMN-UHFFFAOYSA-N
XLogP10.83
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,5-di(dibenzothiophen-2-yl)phenyl]benzonitrile
CID 146355551
3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146354103
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
3-(2-dibenzofuran-2-yl-5-dibenzothiophen-4-ylphenyl)-5-phenylbenzonitrile
CID 146355648
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
8-[4-(2-cyanophenyl)-2-dibenzothiophen-2-ylphenyl]dibenzofuran-2-carbonitrile;5-dibenzofuran-2-yl-4-dibenzothiophen-3-yl-2-phenylbenzonitrile;2-(4-dibenzofuran-2-yl-5-dibenzothiophen-2-yl-2-phenylphenyl)benzonitrile;3-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)-5-phenylbenzonitrile
CID 160866332
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226
8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile?
The IUPAC name of 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile (CID 146355675) is 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile.
What is the SMILES notation for 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile?
The canonical SMILES for 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile is N#Cc1cccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)c(-c3ccc4oc5ccccc5c4c3)c2)c1.
What is the InChIKey of 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile?
The InChIKey is PYCUXMWCUJHIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c38-22-23-6-5-7-24(18-23)25-12-15-28(26-14-17-37-33(21-26)30-9-2-4-11-36(30)40-37)31(19-25)27-13-16-35-32(20-27)29-8-1-3-10-34(29)39-35/h1-21H.
What are the key properties of 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile?
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile has a molecular weight of 527.65 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile is sourced from PubChem (CID 146355675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).