Molecule FYI-1014270

A

Molecule Summary:

ID: FYI-1014270
Names:
InChIKey: GMQGBJJIXYYABG-CSYVZJGJSA-N
SMILES: C3=NC=C2C1=CN=CCN1[Ru]69(N2C3)(n4ccncc4=c5cnccn56)n7ccncc7=c8cnccn89

Received at FYIcenter.com on: 2025-03-19

Molecule ID: FYI-1014270 Edit

Molecule Structure InChIKey: GMQGBJJIXYYABG-CSYVZJGJSA-N

Molecule Structure SMILES String: C3=NC=C2C1=CN=CCN1[Ru]69(N2C3)(n4ccncc4=c5cnccn56)n7ccncc7=c8cnccn89

Download SDF Download SVG Structure in 2D SDF:

FYI-1014270
FYIcenter.com

 37 45  0  0  0  0  0  0  0  0999 V2000
    1.4676    4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    2.4579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709    0.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691    1.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742    3.5742    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.7697    4.6818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543    6.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    6.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349    6.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503    5.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2741    2.4577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    2.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6810    4.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    4.6818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0943    6.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    6.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4137    6.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6984    5.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5743    1.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3494    0.3902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0558    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    0.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    0.7992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499    0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408    1.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6877    0.7828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    2.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    3.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    2.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  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
 13  1  1  0  0  0  0
 14  8  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
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 14  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  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  1  0  0  0  0
 37  8  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014270-3D
FYIcenter.com

 57 65  0  0  0  0  0  0  0  0999 V2000
    7.5046    0.6522    7.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4163    1.2026    6.5677 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2025    1.1696    5.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    0.4715    4.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4805   -0.2073    3.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6845   -0.4413    2.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076   -1.6744    1.8897 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9485   -2.5039    1.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448   -2.1307    1.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4199   -0.9671    2.8688 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997   -1.0645    4.6400 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    6.1586   -0.0404    5.4941 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    0.4521    6.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188   -0.2008    3.9631 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8997    0.6436    2.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6565    0.5068    2.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998   -0.4495    2.5857 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -1.2327    3.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -1.1575    4.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892   -2.0741    5.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -3.3463    5.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7170   -4.0363    6.2480 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4599   -3.6413    7.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -2.6129    7.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   -1.9293    5.9858 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095   -2.9106    4.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7711   -3.6778    5.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -4.7027    5.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6213   -4.9041    6.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5129   -4.5241    6.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437   -3.8998    4.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -3.8076    3.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9484   -4.9568    3.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014   -4.7427    2.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030   -3.4321    1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -2.3606    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3263   -2.5129    3.4322 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    0.4182    8.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1476    2.1599    4.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6090    0.0579    2.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1944   -3.5605    1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1851   -3.1062    2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -2.0047    1.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4373   -0.0789    7.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7268    1.5349    6.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410    1.3701    2.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    1.0951    1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590   -1.9810    3.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -3.8119    4.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637   -4.2192    8.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997   -2.5243    8.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5727   -3.7411    4.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -5.4268    6.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693   -3.6907    6.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246   -5.9819    3.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629   -3.2897    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052   -1.4042    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  2  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  2  0  0  0  0
 33 55  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 56  1  0  0  0  0
 36 37  1  0  0  0  0
 36 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 566👍, 0💬