Chem
J-GLOBAL ID：200907092719120620   Nikkaji number：J2.233.551K

3-(1,4,7,10,13-Pentaoxa-16-azacyclooctadecane-16-yl)-4,4-difluoro-8-phenyl-4H-3a-azonia-4a-aza-4-bora(IV)-s-indacene

3-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イル)-4,4-ジフルオロ-8-フェニル-4H-3a-アゾニア-4a-アザ-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： C27H34BF2N2[N+]O5
Molecular formula furigana： C27-H34-B-F2-N3-O5
Molecular weight： 529.390
InChI： InChI=1S/C27H34BF2N3O5/c29-28(30)32-10-4-7-24(32)27(23-5-2-1-3-6-23)25-8-9-26(33(25)28)31-11-13-34-15-17-36-19-21-38-22-20-37-18-16-35-14-12-31/h1-10H,11-22H2/q+1
InChI key： KSTAPDWNXQZLMA-UHFFFAOYSA-N
SMILES： F[B]1(F)n2cccc2C(=C2C=CC(=[N+]12)N1CCOCCOCCOCCOCCOCC1)c1ccccc1
Systematic name  (3)：
  • 3-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イル)-4,4-ジフルオロ-8-フェニル-4H-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
  • 2,2-ジフルオロ-12-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-イル)-8-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
  • 2,2-difluoro-12-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)-8-phenyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1)：
  • 3-(1,4,7,10,13-Pentaoxa-16-azacyclooctadecane-16-yl)-4,4-difluoro-8-phenyl-4H-3a-azonia-4a-aza-4-bora(IV)-s-indacene
Thsaurus map：
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