Molecule FYI-1010719

A

Molecule Summary:

ID: FYI-1010719
Names:
InChIKey: MFQOEXBMQRIDMN-UHFFFAOYSA-L
SMILES: CC1=CC3C(C=C1)Sc2ccccc2[N@@+]34CCC[N+](C)(C)[Pd-2]4(Cl)Cl.FC(F)F

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010719 Edit

Molecule Structure InChIKey: MFQOEXBMQRIDMN-UHFFFAOYSA-L

Molecule Structure SMILES String: CC1=CC3C(C=C1)Sc2ccccc2[N@@+]34CCC[N+](C)(C)[Pd-2]4(Cl)Cl.FC(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1010719
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659    3.1979    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3076    1.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    3.4396    0.0000 Pd  0  6  0  0  0  0  0  0  0  0  0  0
    2.6778    2.0692    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    2.8766    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    4.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473    5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122    4.7472    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8066    3.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4937    7.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    6.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6635    4.2169    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2720    4.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762    5.4219    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762    3.0118    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 24 19  1  0  0  0  0
 24 10  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010719-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    2.7902   -1.7072    1.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074   -0.9505    1.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7807   -1.2276    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9519   -0.2494   -0.3539 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4053    1.1366    0.0924 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1653    1.1300    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3128    0.2311    2.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3455    2.5947   -0.1569 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4894    2.0033   -1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    3.0274   -1.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3494    2.8529   -2.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4765    1.6183   -3.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5898    0.5687   -2.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5478    0.6989   -1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4774   -0.3178   -1.7711 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4650    0.0704   -2.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8175   -0.2003   -4.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3224   -1.5675   -4.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0313   -2.7279   -3.8826 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6156   -3.9187   -4.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -3.0074   -3.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8125   -2.3853   -1.9744 Pd  0  6  0  0  0  0  0  0  0  0  0  0
    9.0502   -2.5248   -2.6331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1747   -4.6639   -1.6547 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0384    0.0109   -0.8768 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    0.0233   -1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    0.9000   -0.2938 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987   -1.2486   -0.9977 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399   -1.9933    2.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5355   -2.6054    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -1.0198    1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018   -2.0674   -0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8088   -0.5202    0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4494    1.3324   -0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9938    3.6850   -2.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7293   -3.8288   -4.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1094   -3.0720   -4.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -2.2486   -3.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4290   -3.9678   -3.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    0.3445   -2.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
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  2  7  1  0  0  0  0
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  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  3  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
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 11 12  1  0  0  0  0
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 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
$$$$

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2024-07-25, 398👍, 0💬