Molecule FYI-1001134

A

Molecule Summary:

ID: FYI-1001134
SMILES: c1cc2ccc3cccn4c3c2n(c1)[Fe++]456(n7cccc8ccc9cccn5c9c78)n%10cccc%11ccc%12cccn6c%12c%10%11

Received at FYIcenter.com on: 2022-01-26

Molecule ID: FYI-1001134 Edit

Molecule Structure SMILES String: c1cc2ccc3cccn4c3c2n(c1)[Fe++]456(n7cccc8ccc9cccn5c9c78)n%10cccc%11ccc%12cccn6c%12c%10%11

Download SDF Download SVG Structure in 2D SDF:

FYI-1001134
FYIcenter.com

 43 54  0  0  0  0  0  0  0  0999 V2000
    6.5838    1.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8752    0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3456    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9578    0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5378    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402    2.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384    4.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    2.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    2.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5945    3.4589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0232    3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7202    4.4388    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    5.0036    4.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2845    4.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510    6.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1342    7.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9790    8.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    8.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    8.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315    8.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    6.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9213    5.5384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7202    6.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    6.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0382    3.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    0.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103    0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    1.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5656    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1185    3.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3771    4.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7261    5.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601    6.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3300    6.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    5.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9509    4.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4396    3.0123    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  2  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  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  1  2  0  0  0  0
 15 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  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
 21 20  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
 27 26  1  0  0  0  0
 27 15  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
 29 16  1  0  0  0  0
 29 20  1  0  0  0  0
 30 15  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
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 41 15  1  0  0  0  0
 42 41  1  0  0  0  0
 42 37  1  0  0  0  0
 43 42  2  0  0  0  0
 43 30  1  0  0  0  0
 43 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001134-3D
FYIcenter.com

 67 78  0  0  0  0  0  0  0  0999 V2000
    6.0929   -3.1850   -5.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6626   -2.9266   -6.9792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3411   -2.8404   -7.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -2.6986   -8.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577   -2.9828   -8.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -3.4262   -7.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -3.9484   -7.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951   -4.2916   -6.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -4.4740   -5.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4886   -4.0639   -5.4399 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870   -3.4492   -6.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404   -3.0400   -6.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165   -3.0690   -4.9036 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968   -3.0364   -4.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3903   -3.9759   -3.8240 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    3.5947   -3.3865   -2.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4144   -2.2952   -1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4839   -2.5330    0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673   -3.7012    0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3651   -4.6951    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7186   -5.9095    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7494   -7.0239   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277   -6.8964   -1.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2923   -7.9778   -2.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396   -7.9599   -3.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400   -6.7622   -4.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897   -5.4726   -3.6072 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307   -5.6459   -2.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1628   -4.5763   -1.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016   -2.5999   -3.5003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.9394   -4.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117   -1.4829   -3.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8247   -1.5181   -2.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9664   -2.2229   -1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0905   -2.3913   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -3.2945    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5445   -4.1635   -0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -5.2162    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7079   -6.2664   -0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296   -6.0834   -2.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989   -4.8099   -2.4582 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383   -3.9268   -1.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946   -2.8836   -2.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1510   -3.2807   -5.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224   -2.8623   -7.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4294   -2.4680   -9.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097   -2.9177   -9.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888   -4.8057   -8.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -4.3585   -6.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981   -4.7420   -4.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883   -2.1568   -4.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -1.3604   -1.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5696   -2.2409    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289   -3.7994    1.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163   -6.0316    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775   -7.9955    0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841   -8.8509   -1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1475   -8.9670   -4.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -6.8661   -5.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4143   -1.9171   -5.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568   -1.1100   -4.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177   -1.0789   -1.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339   -1.8560    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2740   -3.4335    1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2909   -5.3964    1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -7.1864   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438   -6.8021   -2.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  2  0  0  0  0
  1 44  1  0  0  0  0
  2  3  2  0  0  0  0
  2 45  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  2  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 30  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  2  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 30 43  1  0  0  0  0
 31 32  2  0  0  0  0
 31 60  1  0  0  0  0
 32 33  1  0  0  0  0
 32 61  1  0  0  0  0
 33 34  2  0  0  0  0
 33 62  1  0  0  0  0
 34 35  1  0  0  0  0
 34 43  1  0  0  0  0
 35 36  2  0  0  0  0
 35 63  1  0  0  0  0
 36 37  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  2  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 65  1  0  0  0  0
 39 40  2  0  0  0  0
 39 66  1  0  0  0  0
 40 41  1  0  0  0  0
 40 67  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-19, 2540👍, 0💬