5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile

C24H12N4O — CID 118397843

IUPAC5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)oc2cc(-c4cncc(C#N)c4)ccc23)c1
InChIInChI=1S/C24H12N4O/c25-9-15-5-19(13-27-11-15)17-1-3-21-22-4-2-18(8-24(22)29-23(21)7-17)20-6-16(10-26)12-28-14-20/h1-8,11-14H
InChIKeyCGODIJDXEGNTEW-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.45
Rot. Bonds2

About 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile

5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile (PubChem CID 118397843) has the molecular formula C24H12N4O and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
PubChem CID118397843
Molecular FormulaC24H12N4O
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC Name5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)oc2cc(-c4cncc(C#N)c4)ccc23)c1
InChIInChI=1S/C24H12N4O/c25-9-15-5-19(13-27-11-15)17-1-3-21-22-4-2-18(8-24(22)29-23(21)7-17)20-6-16(10-26)12-28-14-20/h1-8,11-14H
InChIKeyCGODIJDXEGNTEW-UHFFFAOYSA-N
XLogP5.45
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[7-[4-(5-isocyano-3-pyridinyl)phenyl]dibenzofuran-3-yl]phenyl]pyridine-3-carbonitrile
CID 140769190
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-[15-(5-cyano-3-pyridinyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]pyridine-3-carbonitrile
CID 118398217
2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
CID 135252734
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
CID 138673708
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
CID 118397183
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
5-[21-(5-isocyano-3-pyridinyl)-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-14-yl]pyridine-3-carbonitrile
CID 140769149
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
5-[5-(3-cyano-1,2-dihydropyridin-5-yl)-1-propylnaphtho[2,1-b][1]benzofuran-9-yl]pyridine-3-carbonitrile
CID 144925278

Frequently Asked Questions

What is the IUPAC name of 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile (CID 118397843) is 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3c(c2)oc2cc(-c4cncc(C#N)c4)ccc23)c1.
What is the InChIKey of 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile?
The InChIKey is CGODIJDXEGNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N4O/c25-9-15-5-19(13-27-11-15)17-1-3-21-22-4-2-18(8-24(22)29-23(21)7-17)20-6-16(10-26)12-28-14-20/h1-8,11-14H.
What are the key properties of 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile?
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile has a molecular weight of 372.39 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).