Molecule FYI-1007689

A

Molecule Summary:

ID: FYI-1007689
Names:
InChIKey: PJEJEHZPYGMUCI-UHFFFAOYSA-N
SMILES: Oc6cccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007689 Edit

Molecule Structure InChIKey: PJEJEHZPYGMUCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc6cccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007689
FYIcenter.com

 29 34  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499    7.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  6 28  1  0  0  0  0
 11 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007689-3D
FYIcenter.com

 47 52  0     0  0  0  0  0  0999 V2000
   -0.0005   -2.2759    1.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    4.9033    0.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.0203   -0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676   -0.7936   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681   -0.7935   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    1.2786    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1769   -1.8754    0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -1.8754    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335   -0.4683   -0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339   -0.4676   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716   -1.2336   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721   -1.2332   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3039   -2.6103    1.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3046   -2.6107    1.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412   -2.2892    0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5418   -2.2894    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    2.5207   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    1.2071    1.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    0.5751   -1.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7395    0.5765   -1.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -0.9379   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9344   -0.9369   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    3.6914    0.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    0.8568   -2.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0006    0.8587   -2.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.3778    2.6587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    0.1016   -1.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0986    0.1034   -1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0009    3.6199    2.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.2357   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246   -3.4390    1.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2253   -3.4398    1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4070   -2.8803    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4077   -2.8807    0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    2.5832   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    0.2609    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    1.1910   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139    1.1927   -1.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8081   -1.5211   -0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8085   -1.5201   -0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186    1.6664   -2.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    1.6688   -2.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    2.3225    3.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0802    0.3172   -2.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0805    0.3193   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    4.5284    2.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.7660   -0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 23  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
 12 22  2  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  1  0  0  0  0
 17 35  1  0  0  0  0
 18 26  2  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  1  0  0  0  0
 20 38  1  0  0  0  0
 21 27  1  0  0  0  0
 21 39  1  0  0  0  0
 22 28  1  0  0  0  0
 22 40  1  0  0  0  0
 23 29  2  0  0  0  0
 24 27  2  0  0  0  0
 24 41  1  0  0  0  0
 25 28  2  0  0  0  0
 25 42  1  0  0  0  0
 26 29  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 185👍, 0💬