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

C37H21NOS — CID 146355677

IUPAC2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NOS/c38-22-26-7-1-2-8-27(26)23-13-16-28(24-14-17-35-32(20-24)29-9-3-5-11-34(29)39-35)31(19-23)25-15-18-37-33(21-25)30-10-4-6-12-36(30)40-37/h1-21H
InChIKeyIGPKPQKRSCKBBW-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.83
Rot. Bonds3

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

2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile (PubChem CID 146355677) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
PubChem CID146355677
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NOS/c38-22-26-7-1-2-8-27(26)23-13-16-28(24-14-17-35-32(20-24)29-9-3-5-11-34(29)39-35)31(19-23)25-15-18-37-33(21-25)30-10-4-6-12-36(30)40-37/h1-21H
InChIKeyIGPKPQKRSCKBBW-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-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
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-(5-dibenzofuran-2-yl-2-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146355647
7-[4-(8-cyanodibenzothiophen-3-yl)-2-(2-cyanophenyl)phenyl]dibenzofuran-2-carbonitrile
CID 146355177
2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
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-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]benzonitrile
CID 156567011
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-[4-[2,6-di(dibenzothiophen-2-yl)phenyl]phenyl]benzonitrile
CID 146354860
2-[2-(5-dibenzothiophen-1-yl-2-dibenzothiophen-2-ylphenyl)phenyl]benzonitrile
CID 146354847

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile?
The IUPAC name of 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile (CID 146355677) is 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile?
The canonical SMILES for 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile is N#Cc1ccccc1-c1ccc(-c2ccc3oc4ccccc4c3c2)c(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile?
The InChIKey is IGPKPQKRSCKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c38-22-26-7-1-2-8-27(26)23-13-16-28(24-14-17-35-32(20-24)29-9-3-5-11-34(29)39-35)31(19-23)25-15-18-37-33(21-25)30-10-4-6-12-36(30)40-37/h1-21H.
What are the key properties of 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile?
2-(4-dibenzofuran-2-yl-3-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 2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile is sourced from PubChem (CID 146355677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).