Chem
J-GLOBAL ID：201007034761943386   Nikkaji number：J2.834.198I

2-(Trimethylsilylethynyl)-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-(トリメチルシリルエチニル)-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： C78H76BF2N6[N+]O4Si
Molecular formula furigana： C78-H76-B-F2-N7-O4-SI
Molecular weight： 1252.400
InChI： InChI=1S/C78H76BF2N7O4Si/c1-55-49-57(3)87-76(55)75(62-30-23-58(24-31-62)21-22-60-28-35-67-68-36-29-61(37-48-93(6,7)8)52-70(68)78(69(67)51-60,38-42-91-46-44-89-4)39-43-92-47-45-90-5)77-56(2)50-66(88(77)79(87,80)81)34-27-59-25-32-65(33-26-59)86(53-63-15-13-19-73(84-63)71-17-9-11-40-82-71)54-64-16-14-20-74(85-64)72-18-10-12-41-83-72/h9-20,23-36,40-41,49-52H,38-39,42-47,53-54H2,1-8H3/q+1
InChI key： JIZZRJBROOUNBS-UHFFFAOYSA-N
SMILES： COCCOCCC1(CCOCCOC)c2cc(ccc2c2ccc(cc12)C#C[Si](C)(C)C)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
Systematic name  (3)：
  • 2-(トリメチルシリルエチニル)-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
  • 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-{9,9-ビス[2-(2-メトキシエトキシ)エチル]-7-[2-(トリメチルシリル)エチニル]-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-{9,9-bis[2-(2-methoxyethoxy)ethyl]-7-[2-(trimethylsilyl)ethynyl]-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 (1)：
  • 2-(Trimethylsilylethynyl)-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
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