4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile

C24H14N2O — CID 118397912

IUPAC4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)ccn1
InChIInChI=1S/C24H14N2O/c25-15-20-12-19(10-11-26-20)18-7-9-24-22(14-18)21-13-17(6-8-23(21)27-24)16-4-2-1-3-5-16/h1-14H
InChIKeyUBRWDOMPICMKNN-UHFFFAOYSA-N
MW346.39 g/mol
LogP6.19
Rot. Bonds2

About 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile

4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile (PubChem CID 118397912) has the molecular formula C24H14N2O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile
PubChem CID118397912
Molecular FormulaC24H14N2O
Molecular Weight346.39 g/mol
Exact Mass346.11
IUPAC Name4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)ccn1
InChIInChI=1S/C24H14N2O/c25-15-20-12-19(10-11-26-20)18-7-9-24-22(14-18)21-13-17(6-8-23(21)27-24)16-4-2-1-3-5-16/h1-14H
InChIKeyUBRWDOMPICMKNN-UHFFFAOYSA-N
XLogP6.19
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.39
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-[4-(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)phenyl]pyridine-2-carbonitrile
CID 118397235
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
4-[4-[21-[4-(2-isocyano-4-pyridinyl)phenyl]-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]phenyl]pyridine-2-carbonitrile
CID 140769307
4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
4-[6-[14-[6-(2-cyano-4-pyridinyl)-2-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-21-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118398220
4-[3-[2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542821
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790

Frequently Asked Questions

What is the IUPAC name of 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile (CID 118397912) is 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)ccn1.
What is the InChIKey of 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile?
The InChIKey is UBRWDOMPICMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O/c25-15-20-12-19(10-11-26-20)18-7-9-24-22(14-18)21-13-17(6-8-23(21)27-24)16-4-2-1-3-5-16/h1-14H.
What are the key properties of 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile?
4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 118397912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).