3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile

C31H17NO2 — CID 146266788

IUPAC3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1
InChIInChI=1S/C31H17NO2/c32-18-19-7-3-8-20(17-19)21-10-4-12-24-26-14-6-15-27(31(26)34-29(21)24)25-13-5-11-23-22-9-1-2-16-28(22)33-30(23)25/h1-17H
InChIKeyXSIDUAIGMGCMJX-UHFFFAOYSA-N
MW435.48 g/mol
LogP8.69
Rot. Bonds2

About 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile

3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile (PubChem CID 146266788) has the molecular formula C31H17NO2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
PubChem CID146266788
Molecular FormulaC31H17NO2
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1
InChIInChI=1S/C31H17NO2/c32-18-19-7-3-8-20(17-19)21-10-4-12-24-26-14-6-15-27(31(26)34-29(21)24)25-13-5-11-23-22-9-1-2-16-28(22)33-30(23)25/h1-17H
InChIKeyXSIDUAIGMGCMJX-UHFFFAOYSA-N
XLogP8.69
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
CID 70847305
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-[4-carbazol-9-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 155358006
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274

Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile?
The IUPAC name of 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile (CID 146266788) is 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile.
What is the SMILES notation for 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile?
The canonical SMILES for 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile is N#Cc1cccc(-c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c1.
What is the InChIKey of 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile?
The InChIKey is XSIDUAIGMGCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17NO2/c32-18-19-7-3-8-20(17-19)21-10-4-12-24-26-14-6-15-27(31(26)34-29(21)24)25-13-5-11-23-22-9-1-2-16-28(22)33-30(23)25/h1-17H.
What are the key properties of 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile?
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile has a molecular weight of 435.48 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile is sourced from PubChem (CID 146266788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).