6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile

C31H17NO2 — CID 121298243

IUPAC6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc3c2c1
InChIInChI=1S/C31H17NO2/c32-18-19-14-15-29-27(16-19)26-12-5-10-23(31(26)34-29)21-7-3-6-20(17-21)22-9-4-11-25-24-8-1-2-13-28(24)33-30(22)25/h1-17H
InChIKeyNEPIWLPJGGFWKW-UHFFFAOYSA-N
MW435.48 g/mol
LogP8.69
Rot. Bonds2

About 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile

6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile (PubChem CID 121298243) has the molecular formula C31H17NO2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
PubChem CID121298243
Molecular FormulaC31H17NO2
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc3c2c1
InChIInChI=1S/C31H17NO2/c32-18-19-14-15-29-27(16-19)26-12-5-10-23(31(26)34-29)21-7-3-6-20(17-21)22-9-4-11-25-24-8-1-2-13-28(24)33-30(22)25/h1-17H
InChIKeyNEPIWLPJGGFWKW-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

4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354706
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
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
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
CID 70847305
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile?
The IUPAC name of 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile (CID 121298243) is 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile?
The canonical SMILES for 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3c(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cccc3c2c1.
What is the InChIKey of 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile?
The InChIKey is NEPIWLPJGGFWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17NO2/c32-18-19-14-15-29-27(16-19)26-12-5-10-23(31(26)34-29)21-7-3-6-20(17-21)22-9-4-11-25-24-8-1-2-13-28(24)33-30(22)25/h1-17H.
What are the key properties of 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile?
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile 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 6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 121298243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).