Molecule FYI-1010717

A

Molecule Summary:

ID: FYI-1010717
Names:
InChIKey: QUOCNCQPKHTFMA-UHFFFAOYSA-N
SMILES: C7=C5[n+]4c1c(cccc1sc3ccc2C[c-]2c34)Cl6[Cl+][Pd]56c8c9[c+]7n89

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010717 Edit

Molecule Structure InChIKey: QUOCNCQPKHTFMA-UHFFFAOYSA-N

Molecule Structure SMILES String: C7=C5[n+]4c1c(cccc1sc3ccc2C[c-]2c34)Cl6[Cl+][Pd]56c8c9[c+]7n89

Download SDF Download SVG Structure in 2D SDF:

FYI-1010717
FYIcenter.com

 24 32  0  0  0  0  0  0  0  0999 V2000
    5.9384    4.1143    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    5.9384    2.7429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1261    3.4286    0.0000 Cl  0  3  0  0  0  0  0  0  0  0  0  0
    4.7508    2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    2.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    4.1143    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3753    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    4.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    2.7429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    2.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    7.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    6.1715    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7508    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7508    6.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3344    7.0858    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    7.5220    6.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3344    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5220    5.0286    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
  3  1  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  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  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
 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 16  1  0  0  0  0
 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 19  1  1  0  0  0  0
 20 19  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
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 22  2  0  0  0  0
 24  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010717-3D
FYIcenter.com

 32 40  0  0  0  0  0  0  0  0999 V2000
   -1.9799   -5.9950   -4.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116   -5.5474   -5.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7851   -7.8707   -6.2674 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.5150   -7.5710   -7.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0516   -6.2776   -7.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8740   -5.9534   -8.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1859   -6.8934   -9.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6796   -8.1615   -9.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8372   -8.5190   -8.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2899   -9.8223   -8.0937 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763   -9.8874   -6.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349   -9.4011   -1.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1108   -9.9521   -1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1932   -9.2815   -3.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007   -8.1692   -4.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264   -9.2782   -4.8355 C   0  5  0  0  0  0  0  0  0  0  0  0
   -4.4573   -8.8077   -6.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6811   -5.0540   -6.0527 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325   -3.1465   -7.1955 Cl  0  3  0  0  0  0  0  0  0  0  0  0
   -3.4004   -4.3921   -5.6543 Pd  0  0  3  0  0  0  0  0  0  0  0  0
   -3.4573   -3.9989   -4.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319   -3.0997   -3.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818   -4.9377   -4.3341 C   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9487   -4.4356   -2.7586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -6.9278   -4.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2655   -5.0007   -8.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8042   -6.6287  -10.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9140   -8.8520   -9.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391   -9.1027   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738  -10.7322   -1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3441   -8.2698   -4.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -7.2342   -4.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 23  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  3  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  3  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  3  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 1413👍, 0💬