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

Details

Stereochemistry ACHIRAL
Molecular Formula C41H32N4O2
Molecular Weight 612.7184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-((PHENYLMETHYLENE)BIS((2-METHYL-4,1-PHENYLENE)AZO))BIS(2-NAPHTHOL)

SMILES

CC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(C)=C(C=C3)\N=N\C4=C5C=CC=CC5=CC=C4O)\N=N\C6=C7C=CC=CC7=CC=C6O

InChI

InChIKey=WMIMXCPQTYMGDN-NIOMPGPNSA-N
InChI=1S/C41H32N4O2/c1-26-24-31(16-20-35(26)42-44-40-33-14-8-6-10-28(33)18-22-37(40)46)39(30-12-4-3-5-13-30)32-17-21-36(27(2)25-32)43-45-41-34-15-9-7-11-29(34)19-23-38(41)47/h3-25,39,46-47H,1-2H3/b44-42+,45-43+

HIDE SMILES / InChI

Molecular Formula C41H32N4O2
Molecular Weight 612.7184
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:53:10 GMT 2025
Edited
by admin
on Tue Apr 01 18:53:10 GMT 2025
Record UNII
JZP9K65TAE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NAPHTHALENOL, 1,1'-((PHENYLMETHYLENE)BIS((2-METHYL-4,1-PHENYLENE)AZO))BIS-
Preferred Name English
1,1'-((PHENYLMETHYLENE)BIS((2-METHYL-4,1-PHENYLENE)AZO))BIS(2-NAPHTHOL)
Systematic Name English
2-NAPHTHALENOL, 1,1'-((PHENYLMETHYLENE)BIS((2-METHYL-4,1-PHENYLENE)-2,1-DIAZENEDIYL))BIS-
Systematic Name English
1-((4-((4-((2-HYDROXYNAPHTHALEN-1-YL)DIAZENYL)-3-METHYLPHENYL)-PHENYLMETHYL)-2-METHYLPHENYL)DIAZENYL)NAPHTHALEN-2-OL
Systematic Name English
1,1'-((PHENYLMETHYLENE)BIS((2-METHYL-4,1-PHENYLENE)-2,1-DIAZENEDIYL))BIS(2-NAPHTHALENOL)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7070391
Created by admin on Tue Apr 01 18:53:10 GMT 2025 , Edited by admin on Tue Apr 01 18:53:10 GMT 2025
PRIMARY
PUBCHEM
105259
Created by admin on Tue Apr 01 18:53:10 GMT 2025 , Edited by admin on Tue Apr 01 18:53:10 GMT 2025
PRIMARY
FDA UNII
JZP9K65TAE
Created by admin on Tue Apr 01 18:53:10 GMT 2025 , Edited by admin on Tue Apr 01 18:53:10 GMT 2025
PRIMARY
CAS
66085-68-5
Created by admin on Tue Apr 01 18:53:10 GMT 2025 , Edited by admin on Tue Apr 01 18:53:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
266-129-1
Created by admin on Tue Apr 01 18:53:10 GMT 2025 , Edited by admin on Tue Apr 01 18:53:10 GMT 2025
PRIMARY