2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile

C33H16FN5 — CID 176522051

IUPAC2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(-c4ccc(F)cc4)cc3)c2C#N)cc1
InChIInChI=1S/C33H16FN5/c34-28-15-13-24(14-16-28)23-9-11-25(12-10-23)31-29(19-37)32(26-5-1-21(17-35)2-6-26)39-33(30(31)20-38)27-7-3-22(18-36)4-8-27/h1-16H
InChIKeyFXIOEHNSMLCEKK-UHFFFAOYSA-N
MW501.52 g/mol
LogP7.38
Rot. Bonds4

About 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile

2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 176522051) has the molecular formula C33H16FN5 and a molecular weight of 501.52 g/mol. Its IUPAC name is 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID176522051
Molecular FormulaC33H16FN5
Molecular Weight501.52 g/mol
Exact Mass501.14
IUPAC Name2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(-c4ccc(F)cc4)cc3)c2C#N)cc1
InChIInChI=1S/C33H16FN5/c34-28-15-13-24(14-16-28)23-9-11-25(12-10-23)31-29(19-37)32(26-5-1-21(17-35)2-6-26)39-33(30(31)20-38)27-7-3-22(18-36)4-8-27/h1-16H
InChIKeyFXIOEHNSMLCEKK-UHFFFAOYSA-N
XLogP7.38
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile (CID 176522051) is 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(-c4ccc(F)cc4)cc3)c2C#N)cc1.
What is the InChIKey of 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is FXIOEHNSMLCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H16FN5/c34-28-15-13-24(14-16-28)23-9-11-25(12-10-23)31-29(19-37)32(26-5-1-21(17-35)2-6-26)39-33(30(31)20-38)27-7-3-22(18-36)4-8-27/h1-16H.
What are the key properties of 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile?
2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 501.52 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-cyanophenyl)-4-[4-(4-fluorophenyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176522051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).