Chem
J-GLOBAL ID：201007098862625375   Nikkaji number：J2.868.556D

14,15-[1,4-Diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl][3,5,8-trimethyl-4,4-difluoro-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-dibutano-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][3,5,8-トリメチル-4,4-ジフルオロ-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-ジブタノ-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： C72H53BF2N[N+]
Molecular formula furigana： C72-H53-B-F2-N2
Molecular weight： 995.040
InChI： InChI=1S/C72H53BF2N2/c1-40-71-59-38-57-55(63(45-20-8-4-9-21-45)67-49-32-16-28-43-30-18-34-51(61(43)49)69(67)65(57)47-24-12-6-13-25-47)36-53(59)41(2)76(71)73(74,75)77-42(3)54-37-56-58(39-60(54)72(40)77)66(48-26-14-7-15-27-48)70-52-35-19-31-44-29-17-33-50(62(44)52)68(70)64(56)46-22-10-5-11-23-46/h4-35,55-58H,36-39H2,1-3H3/q+1
InChI key： NSAKIAVJZJUXDA-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(C)c3c4CC5C(Cc4c(C)n3[B]2(F)F)C(=C2C(=C5c3ccccc3)c3cccc4cccc2c34)c2ccccc2)C2=C1CC1C(C2)C(=C2C(=C1c1ccccc1)c1cccc3cccc2c13)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][3,5,8-トリメチル-4,4-ジフルオロ-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-ジブタノ-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-8,29,33-トリメチル-3,13,25,37-テトラフェニル-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),2,6,8,10(28),13,15,17,19,21,23(48),24,29,33,37,39,41,43,45-ノナデカエン-30-イリウム
  • 31,31-difluoro-8,29,33-trimethyl-3,13,25,37-tetraphenyl-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),2,6,8,10(28),13,15,17,19,21,23(48),24,29,33,37,39,41,43,45-nonadecaen-30-ylium
Other name (1)：
  • 14,15-[1,4-Diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl][3,5,8-trimethyl-4,4-difluoro-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2:6,7-dibutano-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene]
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