Molecule FYI-1014226

A

Molecule Summary:

ID: FYI-1014226
Names:
InChIKey: HHLMWQDRYZAENA-UHFFFAOYSA-N
SMILES: Nc4ccc(Oc3ccc(C(c2ccc(Oc1ccc(N)cc1)cc2)(C(F)(F)F)C(F)(F)F)cc3)cc4

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014226 Edit

Molecule Structure InChIKey: HHLMWQDRYZAENA-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4ccc(Oc3ccc(C(c2ccc(Oc1ccc(N)cc1)cc2)(C(F)(F)F)C(F)(F)F)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014226
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.4419   10.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359   11.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300   10.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359    8.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    8.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    6.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8539    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8539    6.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    2.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8539    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8539    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2658    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2658    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0598    2.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4717    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478    9.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0004    9.7478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478   11.1403    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0637    9.8124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8539    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2041   10.3041    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0598    9.7478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5502    7.8456    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8239   11.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   10.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120   11.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2059   10.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2059    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4120    8.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26  7  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014226-3D
FYIcenter.com

 57 60  0     0  0  0  0  0  0999 V2000
    0.3726   -3.0897   -2.3576 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347   -4.5949   -0.9856 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -4.5366   -1.4547 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217   -3.0249    2.3520 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -4.3951    0.9760 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -4.6631    1.4631 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6152    0.5245   -0.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6762    0.1936    0.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    5.9007    0.7152 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356    5.5912   -0.7220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -2.7777    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -1.8571   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -1.9921    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948   -3.7553   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579   -3.7291    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -1.9926   -1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435   -2.1331    1.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247   -1.0008    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844   -1.1170   -0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767   -1.1765   -1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1201   -1.3989    1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459   -0.1849    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7610   -0.3829   -0.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220   -0.2727   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5288   -0.5238    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4845    1.8633   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    1.5378    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3687    2.5572   -0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    2.3104    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4729    2.4716    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6706    2.0727   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2368    3.9058   -0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426    3.6642    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3412    3.8201    0.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    3.4265   -0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2231    4.5371    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    4.2222   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8392   -2.6532   -2.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6782   -2.7958    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215   -0.8979    1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -0.9707   -1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7757   -1.2451   -2.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145   -1.5118    2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002    0.4978    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0642    0.2773   -1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988    2.0948   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    1.9052    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3434    1.9145    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4991    1.4542   -0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634    4.4551   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106    4.2751    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1166    4.3008    1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431    3.8496   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2788    6.4205    0.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040    6.3591    1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2806    5.9965   -1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    6.1681   -0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  7 24  1  0  0  0  0
  7 26  1  0  0  0  0
  8 25  1  0  0  0  0
  8 27  1  0  0  0  0
  9 36  1  0  0  0  0
  9 54  1  0  0  0  0
  9 55  1  0  0  0  0
 10 37  1  0  0  0  0
 10 56  1  0  0  0  0
 10 57  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  2  0  0  0  0
 18 40  1  0  0  0  0
 19 23  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 20 42  1  0  0  0  0
 21 25  2  0  0  0  0
 21 43  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 30  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 46  1  0  0  0  0
 29 33  1  0  0  0  0
 29 47  1  0  0  0  0
 30 34  2  0  0  0  0
 30 48  1  0  0  0  0
 31 35  2  0  0  0  0
 31 49  1  0  0  0  0
 32 36  2  0  0  0  0
 32 50  1  0  0  0  0
 33 37  2  0  0  0  0
 33 51  1  0  0  0  0
 34 36  1  0  0  0  0
 34 52  1  0  0  0  0
 35 37  1  0  0  0  0
 35 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 252👍, 0💬