Chem
J-GLOBAL ID：201007043921517485   Nikkaji number：J2.868.549A

3,5,8-Trimethyl-4,4-difluoro-6,7-diethyl-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-ジエチル-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： C46H37BF2N[N+]
Molecular formula furigana： C46-H37-B-F2-N2
Molecular weight： 666.620
InChI： InChI=1S/C46H37BF2N2/c1-6-32-27(4)50-45(33(32)7-2)26(3)46-39-25-38-37(24-36(39)28(5)51(46)47(50,48)49)41(30-16-10-8-11-17-30)43-34-22-14-20-29-21-15-23-35(40(29)34)44(43)42(38)31-18-12-9-13-19-31/h8-25H,6-7H2,1-5H3/q+1
InChI key： TYMBTUJGGQXTAQ-UHFFFAOYSA-N
SMILES： CCc1c(C)n2c(c1CC)C(=C1c3cc4c(c5c(c6cccc7cccc5c67)c(c5ccccc5)c4cc3C(=[N+]1[B]2(F)F)C)c1ccccc1)C
Systematic name  (3)：
  • 3,5,8-トリメチル-4,4-ジフルオロ-6,7-ジエチル-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
  • 10,11-ジエチル-14,14-ジフルオロ-8,12,16-トリメチル-3,20-ジフェニル-13,15λ5-ジアザ-14λ4-ボラオクタシクロ[20.7.1.02,21.04,19.06,17.07,15.09,13.026,30]トリアコンタ-1(29),2,4,6(17),7,9,11,15,18,20,22(30),23,25,27-テトラデカエン-15-イリウム
  • 10,11-diethyl-14,14-difluoro-8,12,16-trimethyl-3,20-diphenyl-13,15λ5-diaza-14λ4-boraoctacyclo[20.7.1.02,21.04,19.06,17.07,15.09,13.026,30]triaconta-1(29),2,4,6(17),7,9,11,15,18,20,22(30),23,25,27-tetradecaen-15-ylium
Other name (1)：
  • 3,5,8-Trimethyl-4,4-difluoro-6,7-diethyl-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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