2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile

C37H21NOS — CID 146355146

IUPAC2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NOS/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-35-33(20-23)30-9-3-5-11-34(30)39-35)17-27(19-28)24-13-15-32-31-10-4-6-12-36(31)40-37(32)21-24/h1-21H
InChIKeyKPEZIFJUXRDWME-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.83
Rot. Bonds3

About 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile (PubChem CID 146355146) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
PubChem CID146355146
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NOS/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-35-33(20-23)30-9-3-5-11-34(30)39-35)17-27(19-28)24-13-15-32-31-10-4-6-12-36(31)40-37(32)21-24/h1-21H
InChIKeyKPEZIFJUXRDWME-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

2-[3-(2-cyanophenyl)-5-[3,5-di(dibenzothiophen-3-yl)phenyl]phenyl]benzonitrile
CID 146355434
2-[3-(2-cyanophenyl)-5-(3-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)phenyl]benzonitrile
CID 146355461
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
8-[3-(2-cyanophenyl)-4-dibenzothiophen-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355181
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-[3-(2-dibenzofuran-2-yl-6-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 146355085
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
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
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile?
The IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile (CID 146355146) is 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile?
The canonical SMILES for 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile?
The InChIKey is KPEZIFJUXRDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-35-33(20-23)30-9-3-5-11-34(30)39-35)17-27(19-28)24-13-15-32-31-10-4-6-12-36(31)40-37(32)21-24/h1-21H.
What are the key properties of 2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile?
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-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-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile is sourced from PubChem (CID 146355146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).