Chem
J-GLOBAL ID：201007081198384519   Nikkaji number：J2.868.551C

3,5,8-Trimethyl-4,4-difluoro-6,7-(naphthalene-1,8-diyl)-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2-[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

3,5,8-トリメチル-4,4-ジフルオロ-6,7-(ナフタレン-1,8-ジイル)-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-[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： C52H33BF2N[N+]
Molecular formula furigana： C52-H33-B-F2-N2
Molecular weight： 734.660
InChI： InChI=1S/C52H33BF2N2/c1-28-51-42-27-41-40(26-39(42)29(2)56(51)53(54,55)57-30(3)43-35-22-10-18-31-21-13-25-38(44(31)35)50(43)52(28)57)46(33-14-6-4-7-15-33)48-36-23-11-19-32-20-12-24-37(45(32)36)49(48)47(41)34-16-8-5-9-17-34/h4-27H,1-3H3/q+1
InChI key： OGFAAHSAJROONZ-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(C)c3c4c(c(C)n3[B]2(F)F)c2cccc3cccc4c23)c2cc3c(c4c(c5cccc6cccc4c56)c(c4ccccc4)c3cc12)c1ccccc1
Systematic name  (3)：
  • 3,5,8-トリメチル-4,4-ジフルオロ-6,7-(ナフタレン-1,8-ジイル)-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-[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
  • 27,27-ジフルオロ-4,25,29-トリメチル-9,21-ジフェニル-26λ5,28-ジアザ-27λ4-ボラウンデカシクロ[29.7.1.111,15.02,30.03,28.05,26.06,24.08,22.010,20.035,39.019,40]テトラコンタ-1(38),2,4,6(24),7,9,11,13,15,17,19(40),20,22,25,29,31(39),32,34,36-ノナデカエン-26-イリウム
  • 27,27-difluoro-4,25,29-trimethyl-9,21-diphenyl-26λ5,28-diaza-27λ4-boraundecacyclo[29.7.1.111,15.02,30.03,28.05,26.06,24.08,22.010,20.035,39.019,40]tetraconta-1(38),2,4,6(24),7,9,11,13,15,17,19(40),20,22,25,29,31(39),32,34,36-nonadecaen-26-ylium
Other name (1)：
  • 3,5,8-Trimethyl-4,4-difluoro-6,7-(naphthalene-1,8-diyl)-10,11-[1,4-diphenyl-2,3-(naphthalene-1,8-diyl)-1,3-butadiene-1,4-diyl]-1,2-[1,3]butadieno-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
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