Chem
J-GLOBAL ID：201107043089176998
Nikkaji number：J2.958.740J
2,6′-Bi[1,3,5,7-tetraphenyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene]
2,6′-ビ[1,3,5,7-テトラフェニル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン]
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： C66H44B2F4N2[N+]2
Molecular formula furigana： C66-H44-B2-F4-N4
Molecular weight： 990.720
InChI：
InChI=1S/C66H44B2F4N4/c69-67(70)73-55(47-29-13-3-14-30-47)41-53(45-25-9-1-10-26-45)57(73)43-59-61(49-33-17-5-18-34-49)63(65(75(59)67)51-37-21-7-22-38-51)64-62(50-35-19-6-20-36-50)60-44-58-54(46-27-11-2-12-28-46)42-56(48-31-15-4-16-32-48)74(58)68(71,72)76(60)66(64)52-39-23-8-24-40-52/h1-44H/q+2
InChI key：
IDIGUWYNBRBCGK-UHFFFAOYSA-N
SMILES：
F[B]1(F)n2c(C=C3C(=CC(=[N+]13)c1ccccc1)c1ccccc1)c(c(C1=C(C3=Cc4c(cc(c5ccccc5)n4[B](F)(F)[N+]3=C1c1ccccc1)c1ccccc1)c1ccccc1)c2c1ccccc1)c1ccccc1
Systematic name (3)：
- 2,6′-ビ[1,3,5,7-テトラフェニル-4,4-ジフルオロ-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン]
- 5-{2,2-ジフルオロ-4,6,10,12-テトラフェニル-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-11-イル}-2,2-ジフルオロ-4,6,10,12-テトラフェニル-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
- 5-{2,2-difluoro-4,6,10,12-tetraphenyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-11-yl}-2,2-difluoro-4,6,10,12-tetraphenyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
- 2,6′-Bi[1,3,5,7-tetraphenyl-4,4-difluoro-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene]
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