3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile

C37H21NO2 — CID 146355352

IUPAC3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C37H21NO2/c38-22-23-8-5-9-25(20-23)36-26(24-18-19-34-31(21-24)27-10-1-3-15-32(27)39-34)12-6-13-28(36)29-14-7-17-35-37(29)30-11-2-4-16-33(30)40-35/h1-21H
InChIKeyUFCMUELIPSGTNU-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile

3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile (PubChem CID 146355352) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
PubChem CID146355352
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C37H21NO2/c38-22-23-8-5-9-25(20-23)36-26(24-18-19-34-31(21-24)27-10-1-3-15-32(27)39-34)12-6-13-28(36)29-14-7-17-35-37(29)30-11-2-4-16-33(30)40-35/h1-21H
InChIKeyUFCMUELIPSGTNU-UHFFFAOYSA-N
XLogP10.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
3-[3,5-di(dibenzofuran-2-yl)-2,6-dimethylphenyl]benzonitrile
CID 146354557
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
3-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 177112707
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-(3-dibenzofuran-2-yl-4-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355675

Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The IUPAC name of 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile (CID 146355352) is 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile.
What is the SMILES notation for 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The canonical SMILES for 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile is N#Cc1cccc(-c2c(-c3ccc4oc5ccccc5c4c3)cccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
The InChIKey is UFCMUELIPSGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-23-8-5-9-25(20-23)36-26(24-18-19-34-31(21-24)27-10-1-3-15-32(27)39-34)12-6-13-28(36)29-14-7-17-35-37(29)30-11-2-4-16-33(30)40-35/h1-21H.
What are the key properties of 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile?
3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile has a molecular weight of 511.58 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile is sourced from PubChem (CID 146355352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).