نتایج جستجو برای: benzenoid systems

تعداد نتایج: 1183720  

Journal: :Journal of chemical information and computer sciences 2001
Michel Deza Patrick W. Fowler Viatcheslav P. Grishukhin

We consider sequences that encode boundary circuits of fused polycycles made up of polygonal faces with p sides, p < or = 6. We give a constructive algorithm for recognizing such sequences when p = 5 or 6. A simpler algorithm is given for planar hexagonal sequences. Hexagonal and pentagonal sequences of length at most 8 are tabulated, the former corresponding to planar benzenoid hydrocarbons Cx...

2014
Chieh-Hung Huang Yu-Yi Chan Ping-Chung Kuo Yu-Fon Chen Ren-Jie Chang Ih-Sheng Chen Shwu-Jen Wu Tian-Shung Wu

Phytochemical investigation of the roots and stems of Illigera luzonensis afforded two new aporphine alkaloids (1) and (2), one new bisdehydroaporphine alkaloid (3), and one new benzenoid (4), along with 28 known structures. The structures of new compounds were elucidated by spectral and MS analysis. Among the isolated compounds, (1) and (4-13) were subjected into the examination for their inhi...

2011
Tomislav Došlić

We make use of the classical correspondence between Kekulé structures and lattice paths to obtain explicit formulas for the Pauling bond order of edges in benzenoid parallelograms. These formulas are further used to establish the average π-electron content of hexagonal rings in such benzenoids. We then compare this quantity with the atom-based π-electron content of rings, and study the local an...

Journal: :Molecules 2010
Qing-Huang Wang Ke Peng Le-He Tan Hao-Fu Dai

Chemical investigation of the EtOH extract of the fresh stem of Aquilaria sinensis collected in Hainan Province of China resulted in the isolation of a new benzenoid, named aquilarin A (1), together with two known compounds balanophonin (2) and (+)-lariciresinol (3). Their structures were elucidated by a study of their physical and spectral data. Compounds 2 and 3 exhibited cytotoxicity against...

2012
MILAN RANDIĆ DOUGLAS J. KLEIN HONGYAO ZHU NENAD TRINAJSTIĆ TOMISLAV ŽIVKOVIĆ

We consider a family of structurally closely related fully-benzenoid hydrocarbons of increasing number of fused benzene rings. Local and global aromatic properties of such molecules are investigated with a particular interest in investigating the role of the finite size of such molecules in modelling the high-polymer or even graphite. An interesting alternation of local properties for benzene r...

2018
Sherif El-Basil Nenad Trinajstic

Kekule structures are transformed into the subspace of their double bonds to yield the correspondilng factor graphs, orig.inally called submolecules (8. E 1Bas i 1, Internat. J. Quantum Chem. 21 (1982) 771). A graiph-theoretical analysis of factor graphs is presented for certain classes o,f benzeno1i:d hydrocarbons. Such an analysis led to expressions for .the construction of sextet polynomials...

2008
Xiao-Jing Yan Xiao-Mei Liang Shu-Hui Jin Dao-Quan Wang

The title compound, C(20)H(32)N(2)O(2)S(2), has been synthesized by the reaction of α-methyl-sulfanylcyclo-dodeca-none and p-toluene-sulfonyl-hydrazine. In the crystal structure, the conformation of the non-benzenoid ring is [3333] and the methyl-sulfanyl group is in the α-side exo position. The mol-ecules are linked by inter-molecular N-H⋯S hydrogen bonds.

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