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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14
Molecular Weight 206.2824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIPHENYL-1,3-BUTADIENE, (1E,3E)-

SMILES

C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1

InChI

InChIKey=JFLKFZNIIQFQBS-FNCQTZNRSA-N
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+

HIDE SMILES / InChI

Molecular Formula C16H14
Molecular Weight 206.2824
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
3,4',5-Trihydroxy-trans-stilbene (resveratrol) inhibits human cytomegalovirus replication and virus-induced cellular signaling.
2004-08
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003-10
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001-03
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:21:01 GMT 2025
Edited
by admin
on Mon Mar 31 21:21:01 GMT 2025
Record UNII
R7P15V6543
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIPHENYL-1,3-BUTADIENE, (1E,3E)-
Systematic Name English
1,4-DIPHENYL-1,3-BUTADIENE (E,E)-FORM [MI]
Preferred Name English
((1E,3E)-4-PHENYL-1,3-BUTADIENYL)BENZENE
Systematic Name English
4-PHENYL-1,3-BUTADIENYL)BENZENE, ((1E,3E)-
Common Name English
TRANS,TRANS-1,4-DIPHENYL-1,3-BUTADIENE
Systematic Name English
BENZENE, 1,1'-(1E,3E)-1,3-BUTADIENE-1,4-DIYLBIS-
Systematic Name English
1,3-BUTADIENE, 1,4-DIPHENYL-, (E,E)-
Systematic Name English
ALL-TRANS-DIPHENYLBUTADIENE
Common Name English
NSC-316
Code English
1,3-BUTADIENE, 1,4-DIPHENYL-, TRANS-TRANS-
Systematic Name English
Code System Code Type Description
CAS
538-81-8
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY
FDA UNII
R7P15V6543
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY
NSC
316
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY
PUBCHEM
641683
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID3022459
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY
MERCK INDEX
m4620
Created by admin on Mon Mar 31 21:21:01 GMT 2025 , Edited by admin on Mon Mar 31 21:21:01 GMT 2025
PRIMARY Merck Index