Chem
J-GLOBAL ID：201807016752326073
Nikkaji number：J3.684.614C
2,7-Bis(2,1,3-benzothiadiazole-4-yl)-3,6-bis[bis(pentafluorophenyl)boryl]-9H-carbazole
2,7-ビス(2,1,3-ベンゾチアジアゾール-4-イル)-3,6-ビス[ビス(ペンタフルオロフェニル)ボリル]-9H-カルバゾール
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
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
Molecular formula： C48H11B2F20N5S2
Molecular formula furigana： C48-H11-B2-F20-N5-S2
Molecular weight： 1123.360
InChI：
InChI=1S/C48H11B2F20N5S2/c51-27-23(28(52)36(60)43(67)35(27)59)49(24-29(53)37(61)44(68)38(62)30(24)54)17-7-15-16-8-18(50(25-31(55)39(63)45(69)40(64)32(25)56)26-33(57)41(65)46(70)42(66)34(26)58)14(12-4-2-6-20-48(12)75-77-73-20)10-22(16)71-21(15)9-13(17)11-3-1-5-19-47(11)74-76-72-19/h1-10,71H
InChI key：
LQBUGDOECKRBLC-UHFFFAOYSA-N
SMILES：
Fc1c(F)c(F)c(B(c2cc3c(cc2c2cccc4nsnc24)[nH]c2cc(c(cc32)B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2cccc3nsnc23)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
Systematic name (3)：
- 2,7-ビス(2,1,3-ベンゾチアジアゾール-4-イル)-3,6-ビス[ビス(ペンタフルオロフェニル)ボリル]-9H-カルバゾール
- 2,7-ビス(2,1,3-ベンゾチアジアゾール-4-イル)-3,6-ビス[ビス(2,3,4,5,6-ペンタフルオロフェニル)ボラニル]-9H-カルバゾール
- 2,7-bis(2,1,3-benzothiadiazol-4-yl)-3,6-bis[bis(2,3,4,5,6-pentafluorophenyl)boranyl]-9H-carbazole
- 2,7-Bis(2,1,3-benzothiadiazole-4-yl)-3,6-bis[bis(pentafluorophenyl)boryl]-9H-carbazole
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