4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile

C25H13N3O — CID 166043478

IUPAC4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
SMILESN#Cc1cccc(-c2c(C#N)ccc3c2oc2c(-c4ccccn4)cccc23)c1
InChIInChI=1S/C25H13N3O/c26-14-16-5-3-6-17(13-16)23-18(15-27)10-11-20-19-7-4-8-21(24(19)29-25(20)23)22-9-1-2-12-28-22/h1-13H
InChIKeyCGZAZRRQECPLPA-UHFFFAOYSA-N
MW371.40 g/mol
LogP6.06
Rot. Bonds2

About 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile

4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile (PubChem CID 166043478) has the molecular formula C25H13N3O and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
PubChem CID166043478
Molecular FormulaC25H13N3O
Molecular Weight371.40 g/mol
Exact Mass371.11
IUPAC Name4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
SMILESN#Cc1cccc(-c2c(C#N)ccc3c2oc2c(-c4ccccn4)cccc23)c1
InChIInChI=1S/C25H13N3O/c26-14-16-5-3-6-17(13-16)23-18(15-27)10-11-20-19-7-4-8-21(24(19)29-25(20)23)22-9-1-2-12-28-22/h1-13H
InChIKeyCGZAZRRQECPLPA-UHFFFAOYSA-N
XLogP6.06
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 169077042
4-(4,4-dimethyl-2,3-dihydrochromen-7-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 167209349
6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
CID 167365859
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
8-methyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170251109
1-fluoro-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 170250799
2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496742
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-[6-(3-cyanophenyl)dibenzofuran-4-yl]-2,6-diphenylbenzonitrile
CID 176994431
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanophenyl)dibenzofuran-2-yl]benzonitrile;2-(6,8-dipyridin-2-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 160659653

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The IUPAC name of 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile (CID 166043478) is 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The canonical SMILES for 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile is N#Cc1cccc(-c2c(C#N)ccc3c2oc2c(-c4ccccn4)cccc23)c1.
What is the InChIKey of 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The InChIKey is CGZAZRRQECPLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13N3O/c26-14-16-5-3-6-17(13-16)23-18(15-27)10-11-20-19-7-4-8-21(24(19)29-25(20)23)22-9-1-2-12-28-22/h1-13H.
What are the key properties of 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile?
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile is sourced from PubChem (CID 166043478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).