Chem
J-GLOBAL ID：201307094030063411   Nikkaji number：J3.164.469K

1-[1,3,5,7-Tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(IV)-s-indacene-8-ylmethyl]-1′-(5-carboxypentyl)-4,4′-bipyridinium

1-[1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン-8-イルメチル]-1′-(5-カルボキシペンチル)-4,4′-ビピリジニウム
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： C30H35BF2N[N+]3O2
Molecular formula furigana： C30-H35-B-F2-N4-O2
Molecular weight： 532.440
InChI： InChI=1S/C30H34BF2N4O2/c1-21-18-23(3)36-29(21)27(30-22(2)19-24(4)37(30)31(36,32)33)20-35-16-11-26(12-17-35)25-9-14-34(15-10-25)13-7-5-6-8-28(38)39/h9-12,14-19H,5-8,13,20H2,1-4H3/q+2/p+1
InChI key： MBJIGOOZNIAMRM-UHFFFAOYSA-O
SMILES： CC1=CC(=[N+]2C1=C(C[n+]1ccc(cc1)c1cc[n+](CCCCCC(=O)O)cc1)c1c(C)cc(C)n1[B]2(F)F)C
Systematic name  (3)：
  • 1-[1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン-8-イルメチル]-1′-(5-カルボキシペンチル)-4,4′-ビピリジニウム
  • 1-(5-カルボキシペンチル)-1'-({2,2-ジフルオロ-4,6,10,12-テトラメチル-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-イル}メチル)-[4,4'-ビピリジン]-1,1'-ジイウム
  • 1-(5-carboxypentyl)-1'-({2,2-difluoro-4,6,10,12-tetramethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-8-yl}methyl)-[4,4'-bipyridine]-1,1'-diium
Other name (1)：
  • 1-[1,3,5,7-Tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(IV)-s-indacene-8-ylmethyl]-1′-(5-carboxypentyl)-4,4′-bipyridinium
Thsaurus map：
Thesaurus Map

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