Molecule FYI-1014073

A

Molecule Summary:

ID: FYI-1014073
Names:
InChIKey: FJUYVGXXNUNWDT-UHFFFAOYSA-N
SMILES: Cc3cc4c1cc(F)ccc1[n+](C)c5c2cc(F)ccc2n(C)c(c3)c45

Received at FYIcenter.com on: 2025-02-27

Molecule ID: FYI-1014073 Edit

Molecule Structure InChIKey: FJUYVGXXNUNWDT-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc4c1cc(F)ccc1[n+](C)c5c2cc(F)ccc2n(C)c(c3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014073
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.2746   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25 17  1  0  0  0  0
 26  6  2  0  0  0  0
 26  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014073-3D
FYIcenter.com

 43 47  0     0  0  0  0  0  0999 V2000
    4.4639    3.2532    0.2659 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7951    1.3894    0.0774 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254    1.4964   -0.0399 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1515   -1.8068   -0.1748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0991   -0.8656   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4686    0.4151   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491   -2.0038   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -0.9899    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    0.6227    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182    0.1915    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7628   -0.5290   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6687    1.4424   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1587   -3.2740    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433   -2.2956    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2218   -3.4184    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    2.7462   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.8898    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -2.9707   -0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    0.2157    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1587   -0.3567    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.6441   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249   -4.7803    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168    2.0316    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291    0.9096    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560    1.4142    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857    2.6288    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656   -4.1749    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178   -2.4548    0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2914    3.5300    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    2.5748   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706    3.0954   -1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344    2.8121    0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8861   -2.7186   -1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021   -3.7351   -1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343   -3.4196    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3132   -0.7043    0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.2031    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9418    3.6300    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361   -5.1641   -0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524   -5.4795    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583   -4.7627    0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081    1.0160    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3437    3.5601    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3  6  2  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 22  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 23  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 25  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1052👍, 0💬