Molecule FYI-1002217

A

Molecule Summary:

ID: FYI-1002217
Names:
InChIKey: PUPHWBDYYVQWSY-YPXUMCKCSA-N
SMILES: Fc4c(F)c(F)c(N/N=C/c3ccc2cc1ccccc1cc2c3)c(F)c4F

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002217 Edit

Molecule Structure InChIKey: PUPHWBDYYVQWSY-YPXUMCKCSA-N

Molecule Structure SMILES String: Fc4c(F)c(F)c(N/N=C/c3ccc2cc1ccccc1cc2c3)c(F)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002217
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 23 22  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  5  6  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002217-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
   -5.2354   -6.1143   -3.9991 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747   -5.8135   -3.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -6.5747   -3.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672   -7.6145   -4.1665 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153   -6.2669   -2.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -7.0441   -2.6559 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9396   -5.1807   -1.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8658   -4.8309   -0.7935 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665   -5.5525   -0.8436 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347   -5.1885   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5092   -5.9374   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351   -5.5396    0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -6.2464    0.7995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378   -7.3479   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1489   -8.0603   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -9.1497   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5627   -9.8552   -0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7484  -10.9275   -1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226  -11.3100   -2.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5083  -10.6226   -2.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3063   -9.5410   -1.8056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   -8.8374   -1.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -7.7453   -0.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -7.0369   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1252   -4.4302   -1.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -3.3888   -0.7267 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2288   -4.7411   -2.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -4.0021   -2.2743 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9715   -3.9924   -0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -4.3200    0.6093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139   -4.6885    1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5364   -5.9281    1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9546   -7.7593    0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779   -9.5708   -0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948  -11.4618   -1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8661  -12.1423   -3.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7184  -10.9352   -3.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865   -9.1398   -2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -7.3390   -1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  2  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 2315👍, 0💬