Chem
J-GLOBAL ID：201007094398987573   Nikkaji number：J2.834.195D

2-[4-[1,3,5,7-Tetramethyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-8-yl]phenylethynyl]-7-[4-[1,3,7-trimethyl-4,4-difluoro-5-[4-[bis(2,2′-bipyridine-6-ylmethyl)amino]styryl]-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-8-yl]phenylethynyl]-9,9-bis[2-(2-methoxyethoxy)ethyl]-9H-fluorene

2-[4-[1,3,5,7-テトラメチル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-8-イル]フェニルエチニル]-7-[4-[1,3,7-トリメチル-4,4-ジフルオロ-5-[4-[ビス(2,2′-ビピリジン-6-イルメチル)アミノ]スチリル]-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-8-イル]フェニルエチニル]-9,9-ビス[2-(2-メトキシエトキシ)エチル]-9H-フルオレン
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： C94H85B2F4N7[N+]2O4
Molecular formula furigana： C94-H85-B2-F4-N9-O4
Molecular weight： 1502.390
InChI： InChI=1S/C94H85B2F4N9O4/c1-62-54-66(5)106-90(62)88(91-63(2)55-67(6)107(91)95(106,97)98)74-35-26-69(27-36-74)22-24-72-33-42-80-81-43-34-73(59-83(81)94(82(80)58-72,44-48-112-52-50-110-8)45-49-113-53-51-111-9)25-23-70-28-37-75(38-29-70)89-92-64(3)56-68(7)108(92)96(99,100)109-79(57-65(4)93(89)109)41-32-71-30-39-78(40-31-71)105(60-76-16-14-20-86(103-76)84-18-10-12-46-101-84)61-77-17-15-21-87(104-77)85-19-11-13-47-102-85/h10-21,26-43,46-47,54-59H,44-45,48-53,60-61H2,1-9H3/q+2
InChI key： HEDSDAFZQJTRFS-UHFFFAOYSA-N
SMILES： COCCOCCC1(CCOCCOC)c2cc(ccc2c2ccc(cc12)C#Cc1ccc(cc1)C1=C2C(=CC(=[N+]2[B](F)(F)n2c(C=Cc3ccc(cc3)N(Cc3cccc(n3)c3ccccn3)Cc3cccc(n3)c3ccccn3)cc(C)c12)C)C)C#Cc1ccc(cc1)C1=C2C(=CC(=[N+]2[B](F)(F)n2c(C)cc(C)c12)C)C
Systematic name  (4)：
  • 2-[4-[1,3,5,7-テトラメチル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-8-イル]フェニルエチニル]-7-[4-[1,3,7-トリメチル-4,4-ジフルオロ-5-[4-[ビス(2,2′-ビピリジン-6-イルメチル)アミノ]スチリル]-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-8-イル]フェニルエチニル]-9,9-ビス[2-(2-メトキシエトキシ)エチル]-9H-フルオレン
  • N,N-ビス(2,2′-ビピリジン-6-イルメチル)-4-[2-[8-[4-[9,9-ビス[2-(2-メトキシエトキシ)エチル]-7-[4-[4,4-ジフルオロ-1,3,5,7-テトラメチル-3a-アザ-4a-アゾニア-4-ボラ(IV)-s-インダセン-8-イル]フェニルエチニル]-9H-フルオレン-2-イルエチニル]フェニル]-4,4-ジフルオロ-1,5,7-トリメチル-3a-アザ-4a-アゾニア-4-ボラ(IV)-s-インダセン-3-イル]エテニル]アニリン
  • 4-(2-{4-[ビス({[2,2'-ビピリジン]-6-イル}メチル)アミノ]フェニル}エテニル)-8-[4-(2-{7-[2-(4-{2,2-ジフルオロ-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2λ4-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム-8-イル}フェニル)エチニル]-9,9-ビス[2-(2-メトキシエトキシ)エチル]-9H-フルオレン-2-イル}エチニル)フェニル]-2,2-ジフルオロ-6,10,12-トリメチル-1λ5,3-ジアザ-2λ4-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム
  • 4-(2-{4-[bis({[2,2'-bipyridin]-6-yl}methyl)amino]phenyl}ethenyl)-8-[4-(2-{7-[2-(4-{2,2-difluoro-4,6,10,12-tetramethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-8-yl}phenyl)ethynyl]-9,9-bis[2-(2-methoxyethoxy)ethyl]-9H-fluoren-2-yl}ethynyl)phenyl]-2,2-difluoro-6,10,12-trimethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (2)：
  • 2-[4-[1,3,5,7-Tetramethyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-8-yl]phenylethynyl]-7-[4-[1,3,7-trimethyl-4,4-difluoro-5-[4-[bis(2,2′-bipyridine-6-ylmethyl)amino]styryl]-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-8-yl]phenylethynyl]-9,9-bis[2-(2-methoxyethoxy)ethyl]-9H-fluorene
  • N,N-Bis(2,2′-bipyridine-6-ylmethyl)-4-[2-[8-[4-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-[4-[4,4-difluoro-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-bora(IV)-s-indacene-8-yl]phenylethynyl]-9H-fluorene-2-ylethynyl]phenyl]-4,4-difluoro-1,5,7-trimethyl-3a-aza-4a-azonia-4-bora(IV)-s-indacene-3-yl]ethenyl]aniline
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