(Z,E,Z)-1,6-Di-1-naphthylhexa-1,3,5-triene
نویسندگان
چکیده
The title compound, C(26)H(20), lies about an inversion centre. The naphthalene unit and the hexa-triene chain are each approximately planar (maximum deviations of 0.0143 and 0.0042 Å, respectively), and are inclined to one another at a dihedral angle of 49.20 (4)°. The dihedral angle between the two naphthalene ring systems of neighboring mol-ecules is 85.71 (4)°.
منابع مشابه
Response of semi-empirical and AB initio methods to angle strain and conjugation effects in (Z,Z,Z)-Cycloocta-1,3,5-triene
The results of MNDO, AM1 and PM3 semi-empirical calculations and HF/6-31G*, MP/6-31G*, MP2/6-311+G**, and B3LYP/6-311G** and QCISD/6-31G* ab initio methods for angle strain and conjugation effects in twist-boat, boat, and half-chair geometries of (Z,Z,Z)-cycloocta-1,3,5-triene indicate that all methods, except PM3, predict wrong ordering of the conformations.
متن کاملMolecular docking studies of (1E,3E,5E)-1,6-Bis(substituted phenyl)hexa-1,3,5-triene and 1,4-Bis(substituted trans-styryl)benzene analogs as novel tyrosinase inhibitors.
We simulated the docking of the tertiary structure of mushroom tyrosinase with our compounds. From the structure-tyrosinase inhibitory activity relationship, it is notable that compounds 4, 8 and 11 showed similar or better activity rates than kojic acid which was used as a positive control. Compounds 17, 21, and 23 among benzene analogs that possess the same substituent showed significantly lo...
متن کامل(E,E,E)-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene
The title mol-ecule, C18H14Cl2, lies about an inversion centre. The hexa-triene chain is planar with a maximum deviation of 0.0001 (17) Å. The torsion angle of the single bond between the chain and the benzene ring is -168.49 (17)°. In the crystal, the shortest inter-molecular distance between the Cl atoms is 4.0785 (11) Å.
متن کاملNovel (1E,3E,5E)-1,6-bis(Substituted phenyl)hexa-1,3,5-triene Analogs Inhibit Melanogenesis in B16F10 Cells and Zebrafish.
The present study aimed to evaluate the anti-melanogenic activity of 1,6-diphenyl-1,3,5-hexatriene and its derivatives in B16F10 murine melanoma cells and zebrafish embryos. Twenty five (1E,3E,5E)-1,6-bis(substituted phenyl)hexa-1,3,5-triene analogs were synthesized and their non-cytotoxic effects were predictively analyzed using three-dimensional quantitative structure-activity relationship ap...
متن کاملMechanisms of Steroid Oxidation by Microorganisms IX. OK THE MECHANS?\I OF RIKG A CLEAVAGE IN THE DEGRADATION OP 9,10-SEC0 STEROIDS BY MICROORGAKIS?1IS*
Cell extracts, prepared from Nocardia restrictus, rapidly oxidize 3,4-dihydroxy-9,lO-secoandrosta-l,3,5(10)-triene9,17-dione with the consumption of 1 mole of oxygen per mole of substrate; no carbon dioxide is evolved. The reaction is stimulated by the presence of ferrous ions. The first product of ring fission has been identified as 4(5),9(10)-diseco-3 -hydroxyandrosta-l(lO),Z-diene-5,9,17trio...
متن کامل