Molecule FYI-1005141

A

Molecule Summary:

ID: FYI-1005141
Names:
InChIKey: ASLFZIDBGXNXPG-UHFFFAOYSA-N
SMILES: CC1(C)CCCCN1c5cc(c4cccc(Oc2nccc3c(O)cccc23)c4)c(O)cc5O

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005141 Edit

Molecule Structure InChIKey: ASLFZIDBGXNXPG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)CCCCN1c5cc(c4cccc(Oc2nccc3c(O)cccc23)c4)c(O)cc5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005141
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1845    2.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3155    0.8226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5881    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7297    1.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5988    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    3.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7404    3.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6094    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3368    5.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1952    4.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0130    2.6701    0.0000 O   0  0  0  0  0  0  0  0  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
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 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
 15 20  1  0  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 29 33  1  0  0  0  0
 28 30  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005141-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
    0.5119   -0.5518   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -0.2659    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -0.0199    1.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4561    1.0696   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449    1.0292   -1.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -0.1415   -2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9028   -1.4517   -1.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8504   -1.3683   -0.3666 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -2.2500    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848   -2.8258    1.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188   -3.7199    2.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970   -4.1096    3.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0140   -4.1154    4.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164   -4.3960    5.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3750   -4.7241    6.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -4.7770    6.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858   -5.0682    7.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -5.8322    8.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784   -7.0218    7.9235 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3847   -7.7802    8.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534   -7.4080   10.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1293   -6.1122   10.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -5.5488   11.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -6.1692   12.9177 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820   -4.2775   12.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2151   -3.5511   11.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1498   -4.0677    9.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477   -5.3225    9.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2513   -4.4216    4.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -4.1520    1.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024   -5.1426    2.4431 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6572   -3.6265    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325   -2.6741   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302   -2.1472   -1.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424    0.2300    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1936   -1.5103    0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173   -0.5994   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054    0.9312    1.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208    0.0285    2.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -0.7688    2.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    1.3267   -0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    1.8893   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9732    1.9694   -2.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5431    0.9499   -2.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454    0.0415   -2.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -0.2027   -3.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4898   -2.2960   -2.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8965   -1.6544   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1748   -2.5793    1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -3.8863    3.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -4.3520    5.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -4.9401    7.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882   -8.7236    8.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -8.1175   11.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422   -6.6993   12.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -3.8404   13.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6425   -2.5652   11.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5411   -3.4722    8.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3322   -4.3743    4.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2983   -5.7218    2.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6247   -3.9762    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887   -2.5771   -1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  2  0  0  0  0
 10 11  2  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  2  0  0  0  0
 13 14  2  0  0  0  0
 13 50  1  0  0  0  0
 14 15  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  2  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  2  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 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  1  0  0  0  0
 34 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1494👍, 0💬