Chem
J-GLOBAL ID：201007073422366758   Nikkaji number：J2.868.558K

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

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： C46H39BF2N[N+]
Molecular formula furigana： C46-H39-B-F2-N2
Molecular weight： 668.640
InChI： InChI=1S/C46H39BF2N2/c1-26-45-33-21-11-10-20-32(33)27(2)50(45)47(48,49)51-28(3)36-24-37-38(25-39(36)46(26)51)42(31-16-8-5-9-17-31)44-35-23-13-19-29-18-12-22-34(40(29)35)43(44)41(37)30-14-6-4-7-15-30/h4-9,12-19,22-23,37-38H,10-11,20-21,24-25H2,1-3H3/q+1
InChI key： NOBOJHDXHWEINV-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=C(C)c3c4CC5C(Cc4c(C)n3[B]2(F)F)C(=C2C(=C5c3ccccc3)c3cccc4cccc2c34)c2ccccc2)C2=C1CCCC2
Systematic name  (3)：
  • 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
  • 18,18-ジフルオロ-8,16,20-トリメチル-3,24-ジフェニル-17λ5,19-ジアザ-18λ4-ボラノナシクロ[24.7.1.02,25.04,23.06,21.07,19.09,17.010,15.030,34]テトラトリアコンタ-1(34),2,6,8,10(15),16,20,24,26,28,30,32-ドデカエン-17-イリウム
  • 18,18-difluoro-8,16,20-trimethyl-3,24-diphenyl-17λ5,19-diaza-18λ4-boranonacyclo[24.7.1.02,25.04,23.06,21.07,19.09,17.010,15.030,34]tetratriaconta-1(34),2,6,8,10(15),16,20,24,26,28,30,32-dodecaen-17-ylium
Other name (1)：
  • 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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