Chem
J-GLOBAL ID：201007050151097217   Nikkaji number：J2.846.808C

1,7-Dimethyl-3-[4-[bis(2-pyridinylmethyl)amino]styryl]-5-[4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecane-10-yl)styryl]-4,4-difluoro-8-phenyl-4H-3a-azonia-4-bora(V)-4a-aza-s-indacene-4-ide

1,7-ジメチル-3-[4-[ビス(2-ピリジニルメチル)アミノ]スチリル]-5-[4-(1,4-ジオキサ-7,13-ジチア-10-アザシクロペンタデカン-10-イル)スチリル]-4,4-ジフルオロ-8-フェニル-4H-3a-アゾニア-4-ボラ(V)-4a-アザ-s-インダセン-4-イド
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： C55H57[B-]F2N5[N+]O2S2
Molecular formula furigana： C55-H57-B-F2-N6-O2-S2
Molecular weight： 947.030
InChI： InChI=1S/C55H57BF2N6O2S2/c1-42-38-51(24-18-44-14-20-49(21-15-44)61-28-34-67-36-32-65-30-31-66-33-37-68-35-29-61)63-54(42)53(46-10-4-3-5-11-46)55-43(2)39-52(64(55)56(63,57)58)25-19-45-16-22-50(23-17-45)62(40-47-12-6-8-26-59-47)41-48-13-7-9-27-60-48/h3-27,38-39H,28-37,40-41H2,1-2H3
InChI key： YWJAJLODDXHNGZ-UHFFFAOYSA-N
SMILES： CC1=CC(=[N+]2C1=C(c1c(C)cc(C=Cc3ccc(cc3)N3CCSCCOCCOCCSCC3)n1[B-]2(F)F)c1ccccc1)C=Cc1ccc(cc1)N(Cc1ccccn1)Cc1ccccn1
Systematic name  (3)：
  • 1,7-ジメチル-3-[4-[ビス(2-ピリジニルメチル)アミノ]スチリル]-5-[4-(1,4-ジオキサ-7,13-ジチア-10-アザシクロペンタデカン-10-イル)スチリル]-4,4-ジフルオロ-8-フェニル-4H-3a-アゾニア-4-ボラ(V)-4a-アザ-s-インダセン-4-イド
  • 12-[2-(4-{ビス[(ピリジン-2-イル)メチル]アミノ}フェニル)エテニル]-4-{2-[4-(1,4-ジオキサ-7,13-ジチア-10-アザシクロペンタデカン-10-イル)フェニル]エテニル}-2,2-ジフルオロ-6,10-ジメチル-8-フェニル-1λ5,3-ジアザ-2-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-ウイド
  • 12-[2-(4-{bis[(pyridin-2-yl)methyl]amino}phenyl)ethenyl]-4-{2-[4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)phenyl]ethenyl}-2,2-difluoro-6,10-dimethyl-8-phenyl-1λ5,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1)：
  • 1,7-Dimethyl-3-[4-[bis(2-pyridinylmethyl)amino]styryl]-5-[4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecane-10-yl)styryl]-4,4-difluoro-8-phenyl-4H-3a-azonia-4-bora(V)-4a-aza-s-indacene-4-ide
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