Molecule FYI-1002749

A

Molecule Summary:

ID: FYI-1002749
Names:
InChIKey: UBSVILYRZZYZIN-UHFFFAOYSA-N
SMILES: c5ccc4[nH]c(c2c1ccccc1nc3ccccc23)cc4c5

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002749 Edit

Molecule Structure InChIKey: UBSVILYRZZYZIN-UHFFFAOYSA-N

Molecule Structure SMILES String: c5ccc4[nH]c(c2c1ccccc1nc3ccccc23)cc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002749
FYIcenter.com

 23 27  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    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
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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
  6 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  8 11  1  0  0  0  0
 10 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
 15 19  1  0  0  0  0
 15 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002749-3D
FYIcenter.com

 37 41  0     0  0  0  0  0  0999 V2000
    1.5773    0.0000    1.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228   -0.0006    0.0638 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554    0.0001   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7996    0.0004   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476   -1.2146   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    1.2146   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106    0.0001    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759    0.0006   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366    0.0008   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7505   -1.1676    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    1.1667    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -2.4498   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6783    2.4502   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -0.0001    1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.0005   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4454   -2.3737    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    2.3725    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -3.6416   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970    3.6414   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822   -3.6029    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7841    3.6021    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963    0.0003    0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3919    0.0006   -0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280   -0.0004    1.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.0012   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4055   -2.5275   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043    2.5283   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9785   -0.0005    2.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303    0.0008   -2.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5328   -2.3700    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5341    2.3682    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751   -4.5943   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8775    4.5945   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -4.5270    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545    4.5259    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    0.0003    1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3706    0.0008   -1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 22  1  0  0  0  0
 14 28  1  0  0  0  0
 15 23  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  2  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 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 2558👍, 0💬