Chem
J-GLOBAL ID：201607010746764058   Nikkaji number：J3.490.158I

4,4-Difluoro-2,3:6,5-bis[4-methyl-2,1-phenylene-[(1S)-1-methyl-5-methoxy-4-oxo-2,5-cyclohexadiene-2,1-diyl]]-8-mesityl-3a-azonia-4a-aza-4-bora(IV)-s-indacene

4,4-ジフルオロ-2,3:6,5-ビス[4-メチル-2,1-フェニレン-[(1S)-1-メチル-5-メトキシ-4-オキソ-2,5-シクロヘキサジエン-2,1-ジイル]]-8-メシチル-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： C48H41BF2N[N+]O4
Molecular formula furigana： C48-H41-B-F2-N2-O4
Molecular weight： 758.670
InChI： InChI=1S/C48H41BF2N2O4/c1-24-10-12-29-31(16-24)33-18-37-44(43-27(4)14-26(3)15-28(43)5)38-19-34-32-17-25(2)11-13-30(32)36-21-40(55)42(57-9)23-48(36,7)46(34)53(38)49(50,51)52(37)45(33)47(6)22-41(56-8)39(54)20-35(29)47/h10-23H,1-9H3/q+1/t47-,48-/m0/s1
InChI key： VPGAJXWVVGEZKL-CRKOEVGVSA-N
SMILES： COC1=C[C@]2(C)C3=[N+]4C(=C(c5cc6c(n5[B]4(F)F)[C@@]4(C)C=C(OC)C(=O)C=C4c4ccc(C)cc64)c4c(C)cc(C)cc4C)C=C3c3cc(C)ccc3C2=CC1=O
Systematic name  (4)：
  • (16S,21S)-4,4-ジフルオロ-8-メシチル-13,16,21,30-テトラメチル-18,25-ジメトキシ-4H-3a-アザ-4a-アゾニア-4-ボラ(IV)-2,3:5,6-ビス([1,2]ベンゼノ[1,2]ベンゼノ)-s-インダセン-19,24(16H,21H)-ジオン
  • 4,4-ジフルオロ-2,3:6,5-ビス[4-メチル-2,1-フェニレン-[(1S)-1-メチル-5-メトキシ-4-オキソ-2,5-シクロヘキサジエン-2,1-ジイル]]-8-メシチル-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン
  • (5S,35S)-2,2-ジフルオロ-7,33-ジメトキシ-5,14,26,35-テトラメチル-8,32-ジオキソ-20-(2,4,6-トリメチルフェニル)-1λ5,3-ジアザ-2λ4-ボラノナシクロ[19.15.0.03,19.04,17.05,10.011,16.023,36.024,29.030,35]ヘキサトリアコンタ-1(36),4(17),6,9,11,13,15,18,20,22,24,26,28,30,33-ペンタデカエン-1-イリウム
  • (5S,35S)-2,2-difluoro-7,33-dimethoxy-5,14,26,35-tetramethyl-8,32-dioxo-20-(2,4,6-trimethylphenyl)-1λ5,3-diaza-2λ4-boranonacyclo[19.15.0.03,19.04,17.05,10.011,16.023,36.024,29.030,35]hexatriaconta-1(36),4(17),6,9,11,13,15,18,20,22,24,26,28,30,33-pentadecaen-1-ylium
Other name (2)：
  • (16S,21S)-4,4-Difluoro-8-mesityl-13,16,21,30-tetramethyl-18,25-dimethoxy-4H-3a-aza-4a-azonia-4-bora(IV)-2,3:5,6-bis([1,2]benzeno[1,2]benzeno)-s-indacene-19,24(16H,21H)-dione
  • 4,4-Difluoro-2,3:6,5-bis[4-methyl-2,1-phenylene-[(1S)-1-methyl-5-methoxy-4-oxo-2,5-cyclohexadiene-2,1-diyl]]-8-mesityl-3a-azonia-4a-aza-4-bora(IV)-s-indacene
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