Chem
J-GLOBAL ID：201007060715901572   Nikkaji number：J2.868.553J

14,15-[1,4-Diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl][3,5-dimethyl-4,4-difluoro-8-phenyl-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-di[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene]

14,15-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル][3,5-ジメチル-4,4-ジフルオロ-8-フェニル-10,11-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル]-1,2:6,7-ジ[1,3]ブタジエノ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C77H47BF2N[N+]
Molecular formula furigana： C77-H47-B-F2-N2
Molecular weight： 1049.040
InChI： InChI=1S/C77H47BF2N2/c1-44-57-40-59-61(69(50-26-12-5-13-27-50)74-55-38-20-34-46-32-18-36-53(65(46)55)72(74)67(59)48-22-8-3-9-23-48)42-63(57)76-71(52-30-16-7-17-31-52)77-64-43-62-60(41-58(64)45(2)82(77)78(79,80)81(44)76)68(49-24-10-4-11-25-49)73-54-37-19-33-47-35-21-39-56(66(47)54)75(73)70(62)51-28-14-6-15-29-51/h3-43H,1-2H3/q+1
InChI key： IUKQOLXNHJOFCR-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(c3n(c(C)c4cc5c(c6c(c7cccc8cccc6c78)c(c6ccccc6)c5cc34)c3ccccc3)[B]2(F)F)c2ccccc2)c2cc3c(c4c(c5cccc6cccc4c56)c(c4ccccc4)c3cc12)c1ccccc1
Systematic name  (3)：
  • 14,15-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル][3,5-ジメチル-4,4-ジフルオロ-8-フェニル-10,11-[1,4-ジフェニル-2,3-(ナフタレン-1,8-ジイル)-1,3-ブタジエン-1,4-ジイル]-1,2:6,7-ジ[1,3]ブタジエノ-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン]
  • 31,31-ジフルオロ-29,33-ジメチル-3,8,13,25,37-ペンタフェニル-30λ5,32-ジアザ-31λ4-ボラトリデカシクロ[37.7.1.115,19.02,38.04,36.06,34.07,32.09,30.010,28.012,26.014,24.043,47.023,48]オクタテトラコンタ-1(47),2,4,6,8,10(28),11,13,15,17,19,21,23(48),24,26,29,33,35,37,39,41,43,45-トリコサエン-30-イリウム
  • 31,31-difluoro-29,33-dimethyl-3,8,13,25,37-pentaphenyl-30λ5,32-diaza-31λ4-boratridecacyclo[37.7.1.115,19.02,38.04,36.06,34.07,32.09,30.010,28.012,26.014,24.043,47.023,48]octatetraconta-1(47),2,4,6,8,10(28),11,13,15,17,19,21,23(48),24,26,29,33,35,37,39,41,43,45-tricosaen-30-ylium
Other name (1)：
  • 14,15-[1,4-Diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl][3,5-dimethyl-4,4-difluoro-8-phenyl-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-di[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene]
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