Chem
J-GLOBAL ID：201807003471695326   Nikkaji number：J3.690.244B

4,4-Difluoro-1,7-bis[4-(dodecyloxy)phenyl]-3,5-bis[4-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-1,2,3-triazole-4-ylmethoxy]phenyl]-3a,8-diaza-4a-azonia-4-bora(IV)-s-indacene

4,4-ジフルオロ-1,7-ビス[4-(ドデシルオキシ)フェニル]-3,5-ビス[4-[1-[2-[2-(2-メトキシエトキシ)エトキシ]エチル]-1H-1,2,3-トリアゾール-4-イルメトキシ]フェニル]-3a,8-ジアザ-4a-アゾニア-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： C76H104BF2N8[N+]O10
Molecular formula furigana： C76-H104-B-F2-N9-O10
Molecular weight： 1352.530
InChI： InChI=1S/C76H104BF2N9O10/c1-5-7-9-11-13-15-17-19-21-23-43-95-67-33-25-61(26-34-67)71-55-73(63-29-37-69(38-30-63)97-59-65-57-85(83-81-65)41-45-91-51-53-93-49-47-89-3)87-75(71)80-76-72(62-27-35-68(36-28-62)96-44-24-22-20-18-16-14-12-10-8-6-2)56-74(88(76)77(87,78)79)64-31-39-70(40-32-64)98-60-66-58-86(84-82-66)42-46-92-52-54-94-50-48-90-4/h25-40,55-58H,5-24,41-54,59-60H2,1-4H3/q+1
InChI key： ONAIKCLVHBBLSZ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1ccc(cc1)C1=CC(=[N+]2C1=Nc1c(cc(c3ccc(OCc4cn(CCOCCOCCOC)nn4)cc3)n1[B]2(F)F)c1ccc(OCCCCCCCCCCCC)cc1)c1ccc(OCc2cn(CCOCCOCCOC)nn2)cc1
Systematic name  (3)：
  • 4,4-ジフルオロ-1,7-ビス[4-(ドデシルオキシ)フェニル]-3,5-ビス[4-[1-[2-[2-(2-メトキシエトキシ)エトキシ]エチル]-1H-1,2,3-トリアゾール-4-イルメトキシ]フェニル]-3a,8-ジアザ-4a-アゾニア-4-ボラ(IV)-s-インダセン
  • 6,10-ビス[4-(ドデシルオキシ)フェニル]-2,2-ジフルオロ-4,12-ビス({4-[(1-{2-[2-(2-メトキシエトキシ)エトキシ]エチル}-1H-1,2,3-トリアゾール-4-イル)メトキシ]フェニル})-1λ5,3,8-トリアザ-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
  • 6,10-bis[4-(dodecyloxy)phenyl]-2,2-difluoro-4,12-bis({4-[(1-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]phenyl})-1λ5,3,8-triaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 4,4-Difluoro-1,7-bis[4-(dodecyloxy)phenyl]-3,5-bis[4-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-1,2,3-triazole-4-ylmethoxy]phenyl]-3a,8-diaza-4a-azonia-4-bora(IV)-s-indacene
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