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

C28H12F3N5 — CID 176522048

IUPAC2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(C(F)(F)F)cc3)c2C#N)cc1
InChIInChI=1S/C28H12F3N5/c29-28(30,31)22-11-9-19(10-12-22)25-23(15-34)26(20-5-1-17(13-32)2-6-20)36-27(24(25)16-35)21-7-3-18(14-33)4-8-21/h1-12H
InChIKeyYCYXKFKQGBADNZ-UHFFFAOYSA-N
MW475.43 g/mol
LogP6.59
Rot. Bonds3

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

2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 176522048) has the molecular formula C28H12F3N5 and a molecular weight of 475.43 g/mol. Its IUPAC name is 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID176522048
Molecular FormulaC28H12F3N5
Molecular Weight475.43 g/mol
Exact Mass475.10
IUPAC Name2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(C(F)(F)F)cc3)c2C#N)cc1
InChIInChI=1S/C28H12F3N5/c29-28(30,31)22-11-9-19(10-12-22)25-23(15-34)26(20-5-1-17(13-32)2-6-20)36-27(24(25)16-35)21-7-3-18(14-33)4-8-21/h1-12H
InChIKeyYCYXKFKQGBADNZ-UHFFFAOYSA-N
XLogP6.59
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 56.59
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-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 176522048) is 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccc(C(F)(F)F)cc3)c2C#N)cc1.
What is the InChIKey of 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is YCYXKFKQGBADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F3N5/c29-28(30,31)22-11-9-19(10-12-22)25-23(15-34)26(20-5-1-17(13-32)2-6-20)36-27(24(25)16-35)21-7-3-18(14-33)4-8-21/h1-12H.
What are the key properties of 2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2,6-bis(4-cyanophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 475.43 g/mol, XLogP of 6.59, 3 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-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176522048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).