Molecule FYI-1004966

A

Molecule Summary:

ID: FYI-1004966
Names:
InChIKey: ZPJLBANJBMMDML-UHFFFAOYSA-N
SMILES: C5=CC=[C+3](C1CCCCCCC1)(C2CCCCCCC2)(C3CCCCCCC3)(C4CCCCCCC4)C=C5

Received at FYIcenter.com on: 2023-10-04

Molecule ID: FYI-1004966 Edit

Molecule Structure InChIKey: ZPJLBANJBMMDML-UHFFFAOYSA-N

Molecule Structure SMILES String: C5=CC=[C+3](C1CCCCCCC1)(C2CCCCCCC2)(C3CCCCCCC3)(C4CCCCCCC4)C=C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004966
FYIcenter.com

 38 42  0  0  0  0  0  0  0  0999 V2000
    4.5634    2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509    2.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3509    4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    5.0584    0.0000 C   0  1  0  0  0  0  0  0  0  0  0  0
    5.7758    4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758    2.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5635    6.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8570    6.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3929    8.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    9.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   10.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    9.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    8.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2702    6.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759    5.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865    4.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2746    5.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    6.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9442    7.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8335    8.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7815    7.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    6.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    5.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8697    6.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0175    7.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    8.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    7.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    5.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    4.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5633    3.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6058    2.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7339    1.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695    0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1926    2.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
  4 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
  4 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 30  1  0  0  0  0
 23 24  1  0  0  0  0
  4 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 31 38  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004966-3D
FYIcenter.com

103107  0  0  0  0  0  0  0  0999 V2000
   -1.3793   -0.2812    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    0.6149    0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1712    0.6255   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498   -0.3956   -0.0237 C   0  1  0  0  0  0  0  0  0  0  0  0
    2.1327   -1.3141   -1.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -1.4116   -3.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378   -2.2494   -3.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633   -3.6411   -4.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555   -4.6407   -3.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170   -4.2469   -3.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497   -3.6076   -2.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279   -2.8804   -1.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703   -0.9929   -1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    0.0384   -2.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    1.4384   -2.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654    1.5037   -2.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219    0.4020   -1.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410   -0.9542   -2.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7984   -2.0715   -1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232   -1.9648   -0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.4125    0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    1.8889    2.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0892    2.5801    2.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    3.6045    1.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715    4.5092    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4363    4.8857    1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906    4.1419    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    2.7939    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.2474    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268   -0.0928    1.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1059    1.2793    2.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3472    2.1314    2.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0031    2.2092    0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854    0.8548    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134    0.2019   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    0.7107   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -1.3457    1.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364   -1.2293    1.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -0.2567    1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8642    1.3244    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596    1.2548   -1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0578   -0.8003   -1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319   -1.7492   -3.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -0.3891   -3.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2562   -1.6269   -4.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -2.4003   -3.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1438   -3.5673   -5.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2589   -4.0419   -4.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470   -5.6136   -4.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422   -4.7751   -2.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381   -3.6011   -4.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087   -5.1480   -3.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3805   -2.9444   -2.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -4.4423   -1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -2.9205   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -3.5067   -0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2820   -1.8453   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004   -0.5332   -3.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045    0.3715   -2.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    1.9713   -3.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    2.1184   -1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    1.5234   -3.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692    2.4777   -2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6804    0.6796   -2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068    0.3657   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618   -0.8685   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4468   -1.3078   -2.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535   -2.9149   -2.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5847   -2.4133   -1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -2.9892   -0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -1.9474    0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    1.3000    1.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971    2.6083    2.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.0506    2.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    3.0674    3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623    1.8214    2.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561    4.2630    2.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850    3.1305    0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    5.4254    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    4.0832   -0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419    4.7976    2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6010    5.9585    1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    4.0744    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1503    4.8131   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357    2.6590   -0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    2.9780   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510   -1.2668    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5115   -0.7468    1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075   -0.5357    2.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2833    1.0405    3.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2746    1.9838    2.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1484    1.8778    2.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875    3.1716    2.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    2.7970    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4202    2.8111    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6846    0.1812    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    0.9788   -0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3821   -0.8882   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5786    0.3958   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397    0.9566   -1.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8809    1.6605    0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527   -2.1628    1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873   -1.9245    2.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  4 29  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 49  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 57  1  0  0  0  0
 14 15  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 17  1  0  0  0  0
 16 62  1  0  0  0  0
 16 63  1  0  0  0  0
 17 18  1  0  0  0  0
 17 64  1  0  0  0  0
 17 65  1  0  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 21 72  1  0  0  0  0
 22 23  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 24  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 25  1  0  0  0  0
 24 77  1  0  0  0  0
 24 78  1  0  0  0  0
 25 26  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 27  1  0  0  0  0
 26 81  1  0  0  0  0
 26 82  1  0  0  0  0
 27 28  1  0  0  0  0
 27 83  1  0  0  0  0
 27 84  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 29 87  1  0  0  0  0
 30 31  1  0  0  0  0
 30 88  1  0  0  0  0
 30 89  1  0  0  0  0
 31 32  1  0  0  0  0
 31 90  1  0  0  0  0
 31 91  1  0  0  0  0
 32 33  1  0  0  0  0
 32 92  1  0  0  0  0
 32 93  1  0  0  0  0
 33 34  1  0  0  0  0
 33 94  1  0  0  0  0
 33 95  1  0  0  0  0
 34 35  1  0  0  0  0
 34 96  1  0  0  0  0
 34 97  1  0  0  0  0
 35 36  1  0  0  0  0
 35 98  1  0  0  0  0
 35 99  1  0  0  0  0
 36100  1  0  0  0  0
 36101  1  0  0  0  0
 37 38  2  0  0  0  0
 37102  1  0  0  0  0
 38103  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-13, 1931👍, 0💬