Molecule FYI-1001811

Home > Molecule

A

Molecule Summary:

ID: FYI-1001811
SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C5=CC=CC=C5

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001811 Edit

Molecule Structure SMILES String: CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C5=CC=CC=C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001811
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.1870    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295    3.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    3.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.6793    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  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
  9  4  1  0  0  0  0
 10  2  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  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
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 24 16  1  0  0  0  0
 25 13  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  2  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
 34 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001811-3D
FYIcenter.com

 63 67  0  0  0  0  0  0  0  0999 V2000
    2.1891    0.5193    1.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.1587   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446   -0.1974   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6999   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324    1.6040   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    2.4039   -1.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    2.3218   -2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2109    1.4244   -3.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    0.6138   -2.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0365   -1.5791    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2448   -1.7383    0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719   -2.9959    1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922   -4.1468    0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -4.0310    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.7536   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -5.1742   -0.2272 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -6.4432    0.0381 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061   -7.2004   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -8.6019   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -9.0700   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751   -8.2100   -1.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7528   -6.8076   -1.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649   -6.3202   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8871   -5.0545   -0.7996 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6395   -5.3654    1.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590   -3.1002    2.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4409   -1.7114    2.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076   -3.7991    3.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064   -3.7914    1.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8746   -3.2217    0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0645   -3.7703    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6041   -4.9112    0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457   -5.5115    1.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7596   -4.9597    2.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    1.5411    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    0.5857    1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.0359    1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6581    0.8144   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -0.7151   -0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366   -0.7158   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276    1.7131    0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8563    3.0965   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7301    2.9505   -3.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    1.3524   -4.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286   -0.0808   -2.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7653   -0.8291    1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110   -2.6925   -0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362   -9.2652    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337  -10.1461   -0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946   -8.6563   -1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291   -6.1535   -1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0525   -6.0818    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6313   -1.1727    3.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8136   -1.0627    2.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   -1.8218    3.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446   -3.2539    3.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1644   -3.8438    4.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0741   -4.8271    3.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4803   -2.3279    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5732   -3.3000   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5312   -5.3347    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3538   -6.4097    2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2846   -5.4643    3.0821 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 10  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  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  2  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  2  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 59  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 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 1806👍, 0💬