2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile

C37H21NOS — CID 146355593

IUPAC2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile
SMILESN#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2)cc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C37H21NOS/c38-22-33-31(24-14-16-28-27-10-4-6-12-34(27)39-35(28)20-24)18-26(23-8-2-1-3-9-23)19-32(33)25-15-17-30-29-11-5-7-13-36(29)40-37(30)21-25/h1-21H
InChIKeyVOKHOZIRJXHORP-UHFFFAOYSA-N
MW527.65 g/mol
LogP10.83
Rot. Bonds3

About 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile

2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile (PubChem CID 146355593) has the molecular formula C37H21NOS and a molecular weight of 527.65 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile
PubChem CID146355593
Molecular FormulaC37H21NOS
Molecular Weight527.65 g/mol
Exact Mass527.13
IUPAC Name2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile
SMILESN#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2)cc1-c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C37H21NOS/c38-22-33-31(24-14-16-28-27-10-4-6-12-34(27)39-35(28)20-24)18-26(23-8-2-1-3-9-23)19-32(33)25-15-17-30-29-11-5-7-13-36(29)40-37(30)21-25/h1-21H
InChIKeyVOKHOZIRJXHORP-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-cyanophenyl)-4-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;2-(4-cyanophenyl)-6-dibenzofuran-3-yl-4-dibenzothiophen-3-ylbenzonitrile;4-(3-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-(4-cyanophenyl)-2-dibenzofuran-3-yl-6-dibenzothiophen-3-ylbenzonitrile;4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 161473493
4-dibenzofuran-3-yl-6-dibenzothiophen-2-yl-2-phenylbenzene-1,3-dicarbonitrile
CID 146354952
4-(4-cyanophenyl)-2,6-di(dibenzothiophen-3-yl)benzonitrile
CID 146354659
2-dibenzofuran-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 162122962
4-chloro-2-dibenzofuran-3-yl-6-(4-phenylphenyl)benzonitrile
CID 176994569
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146640504
7-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 138736824
4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 160781229
2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
CID 158713943
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-(3-dibenzofuran-3-yl-5-dibenzothiophen-3-ylphenyl)benzene-1,4-dicarbonitrile
CID 146355597

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile?
The IUPAC name of 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile (CID 146355593) is 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile?
The canonical SMILES for 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile is N#Cc1c(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccccc2)cc1-c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile?
The InChIKey is VOKHOZIRJXHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NOS/c38-22-33-31(24-14-16-28-27-10-4-6-12-34(27)39-35(28)20-24)18-26(23-8-2-1-3-9-23)19-32(33)25-15-17-30-29-11-5-7-13-36(29)40-37(30)21-25/h1-21H.
What are the key properties of 2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile?
2-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile 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-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-4-phenylbenzonitrile is sourced from PubChem (CID 146355593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).