Molecule FYI-1007950

A

Molecule Summary:

ID: FYI-1007950
Names:
InChIKey: GIHCIPHHTYPBPE-UHFFFAOYSA-N
SMILES: c1ccc6c(c1)cc5ccc4c(ccc3cc2ccccc2c34)c56

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007950 Edit

Molecule Structure InChIKey: GIHCIPHHTYPBPE-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc6c(c1)cc5ccc4c(ccc3cc2ccccc2c34)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007950
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571    0.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571    2.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142    2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6242    0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7699    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9398    1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    4.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8094    4.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1266    3.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    2.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841    4.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4202    3.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3866    2.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5130    1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6799    2.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7138    3.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5802    4.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
  2  1  1  0  0  0  0
  1  4  2  0  0  0  0
  7  6  1  0  0  0  0
 12 15  1  0  0  0  0
 17 13  2  0  0  0  0
 14 16  1  0  0  0  0
 15 14  2  0  0  0  0
 17 16  1  0  0  0  0
  9  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  0  0  0  0
 18 19  1  0  0  0  0
 16 18  2  0  0  0  0
 20 17  1  0  0  0  0
 19 20  2  0  0  0  0
  3  2  2  0  0  0  0
  6  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  8 12  2  0  0  0  0
 10  9  1  0  0  0  0
 19 24  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007950-3D
FYIcenter.com

 38 43  0     0  0  0  0  0  0999 V2000
    0.6214    0.4505   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215   -0.4505   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387   -0.1548   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388    0.1549   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097   -1.6285   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    1.6285   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.3226    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -0.3224   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296   -0.8463    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0296    0.8462   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619    1.9105   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4620   -1.9103   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1873   -2.0367   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874    2.0367   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523    2.4787   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523   -2.4787   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8574    1.5620    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8572   -1.5620    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4163   -0.7978    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4163    0.7977    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2573    1.6209    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2572   -1.6210    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0305    0.4523    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0304   -0.4525    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3185    2.5643   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3186   -2.5642   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5590   -3.0488   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591    3.0488   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    3.5565   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -3.5564   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123    2.4953    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3121   -2.4953    0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0140   -1.7033    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0141    1.7031    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7522    2.5888    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7520   -2.5890    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1145    0.5236    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1144   -0.5238    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 13  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  2  0  0  0  0
  9 13  1  0  0  0  0
  9 19  2  0  0  0  0
 10 14  1  0  0  0  0
 10 20  2  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 142👍, 0💬