U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H23F3N6
Molecular Weight 500.5176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-PYRIDINECARBONITRILE, 4-METHYL-2,6-BIS((4-METHYLPHENYL)AMINO)-5-((2-(TRIFLUOROMETHYL)PHENYL)AZO)-

SMILES

CC1=CC=C(NC2=NC(NC3=CC=C(C)C=C3)=C(\N=N\C4=CC=CC=C4C(F)(F)F)C(C)=C2C#N)C=C1

InChI

InChIKey=FOICTPKVVFHDJU-BSRQYYOTSA-N
InChI=1S/C28H23F3N6/c1-17-8-12-20(13-9-17)33-26-22(16-32)19(3)25(27(35-26)34-21-14-10-18(2)11-15-21)37-36-24-7-5-4-6-23(24)28(29,30)31/h4-15H,1-3H3,(H2,33,34,35)/b37-36+

HIDE SMILES / InChI

Molecular Formula C28H23F3N6
Molecular Weight 500.5176
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:54 GMT 2023
Record UNII
U1118B8WFZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PYRIDINECARBONITRILE, 4-METHYL-2,6-BIS((4-METHYLPHENYL)AMINO)-5-((2-(TRIFLUOROMETHYL)PHENYL)AZO)-
Systematic Name English
4-METHYL-2,6-BIS((4-METHYL-PHENYL)AMINO)-5-((2-(TRIFLUOROMETHYL)PHENYL)AZO)-3-PYRIDINECARBONITRILE
Systematic Name English
3-PYRIDINECARBONITRILE, 4-METHYL-2,6-BIS((4-METHYLPHENYL)AMINO)-5-(2-(2-(TRIFLUOROMETHYL)PHENYL)DIAZENYL)-
Systematic Name English
4-METHYL-2,6-BIS((4-METHYLPHENYL)AMINO)-5-((2-(TRIFLUOROMETHYL)PHENYL)AZO)-3-PYRIDINECARBONITRILE
Systematic Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 602
Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023
Code System Code Type Description
FDA UNII
U1118B8WFZ
Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID90889200
Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023
PRIMARY
PUBCHEM
11605744
Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023
PRIMARY
CAS
669005-94-1
Created by admin on Sat Dec 16 08:09:54 GMT 2023 , Edited by admin on Sat Dec 16 08:09:54 GMT 2023
PRIMARY