Molecule Editor

Molecule ID: FYI-1013269 Edit

Molecule Structure InChIKey: CHCQZVXAZDRQIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)C3(C4=C5[C+])(P(c1ccccc1)c2ccccc2)(=C3[Fe+2]4567%10%12C%11=C6[C+]7(P(c8ccccc8)c9ccccc9)=C%10C%11%12C(C)(C)C)

Download SDF Download SVG Structure in 2D SDF:

FYI-1013269
FYIcenter.com

 45 58  0  0  0  0  0  0  0  0999 V2000
    4.9485    3.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016    4.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998    3.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630    4.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237    5.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803    6.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0382    7.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206    5.8211    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    5.4894    4.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6351    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9871    6.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0254    6.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719    7.1002    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    3.5337    7.5066    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7117    9.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7117   10.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337   11.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558   10.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558    9.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558    6.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    7.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    4.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3558    5.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009    6.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9489    7.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146    6.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075    5.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9813    4.5511    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    5.6734    3.2372    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7117    2.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4199    2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    1.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0637    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9871    2.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    1.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529    1.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6146    2.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2626    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9489    3.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  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 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 11  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
 31  5  1  0  0  0  0
 31  8  1  0  0  0  0
 32 31  2  0  0  0  0
 32  7  1  0  0  0  0
 32  8  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 34  1  0  0  0  0
 40 33  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 45 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013269-3D
FYIcenter.com

 84 94  0  0  0  0  0  0  0  0999 V2000
    5.3730   -7.5899   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8406   -8.2168   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0712   -9.1090   -1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583   -8.8745    0.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7554   -6.8100   -0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5419   -6.3994   -1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603   -5.8358   -2.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631   -3.5553   -3.7474 C   0  3  0  0  0  1  0  0  0  0  0  0
    1.3384   -7.3721   -0.3888 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -6.9728    1.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2045   -6.3853    2.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601   -5.9037    3.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -6.1381    4.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1201   -6.6939    3.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1882   -7.2800    2.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340   -6.7307   -1.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1959   -6.1186   -2.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057   -5.9325   -2.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5841   -6.1699   -2.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4808   -6.8525   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971   -6.8824   -0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304   -5.5120   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340   -4.0533   -0.2279 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    1.5366   -2.7635    1.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.1587   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537   -3.7352   -0.7746 C   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3745   -3.4057   -0.6779 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841   -0.4099   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087   -0.6325   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720   -0.1120   -0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    0.9975    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    1.3499    0.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239    0.2139    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077   -2.9058   -2.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271   -3.5414   -2.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7630   -3.3862   -4.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065   -2.5686   -4.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1184   -1.8286   -4.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4182   -2.0553   -3.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399   -4.6905    0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2443   -3.3006    2.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -2.3825    2.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8085   -0.7714    1.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751   -1.6826    3.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5774   -2.7956    3.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831   -8.3032    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3376   -6.8583    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6172   -7.2027   -0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813   -9.8868   -1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910   -8.5858   -2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1063   -9.5415   -1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633   -9.6506    1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892   -9.3074    0.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122   -8.1898    1.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -6.3532    1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410   -5.3917    3.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603   -5.9132    5.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752   -6.6752    4.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406   -7.9397    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678   -5.8088   -2.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4496   -5.4243   -3.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -5.8494   -2.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3331   -7.3054   -0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2703   -7.3396    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6236   -5.7414   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8267   -1.7830   -1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140   -0.0858   -1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206    1.6538    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1166    1.7329    1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2577   -0.1864    1.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -4.1993   -2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082   -3.9073   -4.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554   -2.4999   -5.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -1.0383   -4.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.6646   -2.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798   -1.3712    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889   -2.1450    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1696   -0.6708    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -1.4486    2.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642   -0.7668    3.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.2234    3.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1295   -3.8939    3.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668   -3.3400    4.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609   -1.8159    4.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  4 54  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  2  3  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  2  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
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 60  1  0  0  0  0
 18 19  1  0  0  0  0
 18 61  1  0  0  0  0
 19 20  2  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 20 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  3  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  1  0  0  0  0
 28 33  2  0  0  0  0
 29 30  2  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 67  1  0  0  0  0
 31 32  2  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  2  0  0  0  0
 35 36  2  0  0  0  0
 35 71  1  0  0  0  0
 36 37  1  0  0  0  0
 36 72  1  0  0  0  0
 37 38  2  0  0  0  0
 37 73  1  0  0  0  0
 38 39  1  0  0  0  0
 38 74  1  0  0  0  0
 39 75  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
 44 79  1  0  0  0  0
 44 80  1  0  0  0  0
 44 81  1  0  0  0  0
 45 82  1  0  0  0  0
 45 83  1  0  0  0  0
 45 84  1  0  0  0  0
M  END
$$$$