Molecule FYI-1007260

A

Molecule Summary:

ID: FYI-1007260
Names:
InChIKey: UOYPNWSDSPYOSN-UHFFFAOYSA-N
SMILES: c1ccc6c(c1)ccc5ccc4ccc3ccc2ccccc2c3c4c56

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007260 Edit

Molecule Structure InChIKey: UOYPNWSDSPYOSN-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc6c(c1)ccc5ccc4ccc3ccc2ccccc2c3c4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007260
FYIcenter.com

 26 31  0  0  0  0  0  0  0  0999 V2000
    4.7934    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    2.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7440    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763    2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1677    1.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    6.9187    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 13  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 12  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 11  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007260-3D
FYIcenter.com

 42 47  0     0  0  0  0  0  0999 V2000
    0.0000   -1.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165   -0.7581    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165   -0.7580   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.8230    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   -1.5053    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946   -1.5052   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    0.5622   -0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6585    0.5622    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056    1.1576   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9054    1.1579    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1216   -3.5393    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -3.5392   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752   -2.8775    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754   -2.8774   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6168   -0.8999    0.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167   -0.8996   -0.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    0.4316    0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8500    0.4319   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    1.3063   -1.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    1.3060    1.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    2.4603   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232    2.4605    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    2.5946   -1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    2.5942    1.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559    3.1815   -1.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3558    3.1814    1.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -4.6256    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -4.6255   -0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1099   -3.4642    1.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1101   -3.4641   -1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180   -1.4682    1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179   -1.4678   -1.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    0.8659    0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8134    0.8663   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    0.8794   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    0.8789    1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    2.9180   -0.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1702    2.9183    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073    3.1289   -2.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    3.1282    2.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188    4.1821   -1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    4.1819    1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  2  0  0  0  0
  8 10  1  0  0  0  0
  8 20  2  0  0  0  0
  9 17  1  0  0  0  0
  9 21  2  0  0  0  0
 10 18  1  0  0  0  0
 10 22  2  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 197👍, 0💬