Chem
J-GLOBAL ID：201507041818270084   Nikkaji number：J3.373.359C

2,14,19-Tris(4-methoxyphenyl)-16-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-chlorohexyl)-8-fluoro-7,9,18-triaza-8-borapentacyclo[13.2.1.16,10.03,7.09,13]nonadecane-1(18),2,4,6(19),10,12,14,16-octaene

2,14,19-トリス(4-メトキシフェニル)-16-(1,1,2,2,3,3,4,4,5,5,6,6-ドデカフルオロ-6-クロロヘキシル)-8-フルオロ-7,9,18-トリアザ-8-ボラペンタシクロ[13.2.1.16,10.03,7.09,13]ノナデカン-1(18),2,4,6(19),10,12,14,16-オクタエン
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： C42H26BClF13N3O3
Molecular formula furigana： C42-H26-B-CL-F13-N3-O3
Molecular weight： 913.930
InChI： InChI=1S/C42H26BClF13N3O3/c1-61-24-10-4-21(5-11-24)33-28-20-27(37(45,46)38(47,48)39(49,50)40(51,52)41(53,54)42(44,55)56)36(58-28)35(23-8-14-26(63-3)15-9-23)32-19-18-31-34(22-6-12-25(62-2)13-7-22)30-17-16-29(33)59(30)43(57)60(31)32/h4-20H,1-3H3/b33-28-,33-29?,35-32-,36-35?
InChI key： SKOGMAPGAJHQBZ-ZRTBTMRNSA-N
SMILES： COc1ccc(cc1)c1c2ccc3c(c4nc(c(c4)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)c(c4ccc1n4B(F)n23)c1ccc(OC)cc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 2,14,19-トリス(4-メトキシフェニル)-16-(1,1,2,2,3,3,4,4,5,5,6,6-ドデカフルオロ-6-クロロヘキシル)-8-フルオロ-7,9,18-トリアザ-8-ボラペンタシクロ[13.2.1.16,10.03,7.09,13]ノナデカン-1(18),2,4,6(19),10,12,14,16-オクタエン
  • 7-(6-クロロ-1,1,2,2,3,3,4,4,5,5,6,6-ドデカフルオロヘキシル)-16-フルオロ-5,10,18-トリス(4-メトキシフェニル)-15,17,19-トリアザ-16-ボラペンタシクロ[12.3.1.16,9.04,17.011,15]ノナデカ-1,3,5,7,9(19),10,12,14(18)-オクタエン
  • 7-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-16-fluoro-5,10,18-tris(4-methoxyphenyl)-15,17,19-triaza-16-borapentacyclo[12.3.1.16,9.04,17.011,15]nonadeca-1,3,5,7,9(19),10,12,14(18)-octaene
Other name (1)：
  • 2,14,19-Tris(4-methoxyphenyl)-16-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-chlorohexyl)-8-fluoro-7,9,18-triaza-8-borapentacyclo[13.2.1.16,10.03,7.09,13]nonadecane-1(18),2,4,6(19),10,12,14,16-octaene
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