Chem
J-GLOBAL ID:200907025562526008   Nikkaji number:J1.747.391C

3,5-Bis(4-methoxyphenyl)-4,4-difluoro-8-[2,5-bis[12-(trimethylaminio)dodecyloxy]phenyl]-3a-azonia-4a-aza-4-bora(IV)-s-indacene

3,5-ビス(4-メトキシフェニル)-4,4-ジフルオロ-8-[2,5-ビス[12-(トリメチルアミニオ)ドデシルオキシ]フェニル]-3a-アゾニア-4a-アザ-4-ボラ(IV)-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: C59H87BF2N[N+]3O4
Molecular formula furigana: C59-H87-B-F2-N4-O4
Molecular weight: 965.170
InChI: InChI=1S/C59H87BF2N4O4/c1-65(2,3)43-25-21-17-13-9-11-15-19-23-27-45-69-52-37-42-58(70-46-28-24-20-16-12-10-14-18-22-26-44-66(4,5)6)53(47-52)59-56-40-38-54(48-29-33-50(67-7)34-30-48)63(56)60(61,62)64-55(39-41-57(59)64)49-31-35-51(68-8)36-32-49/h29-42,47H,9-28,43-46H2,1-8H3/q+3
InChI key: CIMROXRFMYWBST-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C1=[N+]2C(=C(c3ccc(c4ccc(OC)cc4)n3[B]2(F)F)c2cc(OCCCCCCCCCCCC[N+](C)(C)C)ccc2OCCCCCCCCCCCC[N+](C)(C)C)C=C1
Systematic name  (3):
  • 3,5-ビス(4-メトキシフェニル)-4,4-ジフルオロ-8-[2,5-ビス[12-(トリメチルアミニオ)ドデシルオキシ]フェニル]-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
  • 8-[2,5-ビス({[12-(トリメチルアザニウミル)ドデシル]オキシ})フェニル]-2,2-ジフルオロ-4,12-ビス(4-メトキシフェニル)-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-[2,5-bis({[12-(trimethylazaniumyl)dodecyl]oxy})phenyl]-2,2-difluoro-4,12-bis(4-methoxyphenyl)-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1):
  • 3,5-Bis(4-methoxyphenyl)-4,4-difluoro-8-[2,5-bis[12-(trimethylaminio)dodecyloxy]phenyl]-3a-azonia-4a-aza-4-bora(IV)-s-indacene
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