Molecule FYI-1004627

A

Molecule Summary:

ID: FYI-1004627
Names:
InChIKey: LUOBYKKIRAGUEP-UHFFFAOYSA-N
SMILES: C1CN%17C1C%15OC%16C%10%14C5(C4CC3C2CON2[Si]34C59C8OC7C6CCN6[Si]78C9%10C%13OC%12C%11CCN%11[Si]%12%13%14)[Si]%15%16%17

Received at FYIcenter.com on: 2023-09-15

Molecule ID: FYI-1004627 Edit

Molecule Structure InChIKey: LUOBYKKIRAGUEP-UHFFFAOYSA-N

Molecule Structure SMILES String: C1CN%17C1C%15OC%16C%10%14C5(C4CC3C2CON2[Si]34C59C8OC7C6CCN6[Si]78C9%10C%13OC%12C%11CCN%11[Si]%12%13%14)[Si]%15%16%17

Download SDF Download SVG Structure in 2D SDF:

FYI-1004627
FYIcenter.com

 36 52  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.6000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 N   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  3  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  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
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 21  1  0  0  0  0
 28 25  1  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
 30  1  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 29  1  0  0  0  0
 36 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004627-3D
FYIcenter.com

 64 80  0  0  1  0  0  0  0  0999 V2000
    4.0122    0.1274    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -0.8242   -0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    0.0980   -0.3442 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.2218    1.2042   -0.2984 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2660    2.1505    0.4709 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6536    3.3015   -0.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    2.8570   -0.0349 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6940    2.6885   -1.3959 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2332    1.2884   -0.5178 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1172   -0.2486   -1.0155 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1456   -1.2673    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3776   -1.9783   -0.4260 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6887   -2.0246    0.3912 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7043   -1.5546    1.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512   -0.1735    1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0611   -0.6408    0.0590 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9375   -0.3775   -1.1795 Si  0  0  3  0  0  0  0  0  0  0  0  0
   -2.5258    1.4361   -1.6965 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0613    1.8472   -1.0216 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.3457    1.3330   -1.4714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9193    2.5564   -1.9604 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.8261    3.8892   -1.2002 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.5546    5.2161   -1.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0724    5.7009   -1.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9444    4.4376   -2.4220 N   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1530    2.9409   -2.6389 Si  0  0  3  0  0  0  0  0  0  0  0  0
   -2.2897    3.0208   -1.2255 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1205    4.1557   -2.4970 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2023    4.2326   -3.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534    5.4071   -3.1108 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1995    6.6397   -2.5095 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7098    7.9607   -1.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084    7.4091   -0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    6.1215   -0.9328 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6904    4.5984   -1.4923 Si  0  0  3  0  0  0  0  0  0  0  0  0
    1.0812    1.1708   -1.2955 Si  0  0  3  0  0  0  0  0  0  0  0  0
    5.0979    0.1436    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8018    0.0225    1.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817   -1.8293   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6202   -0.9108   -1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    1.5384   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814    1.7465    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258    2.4260    0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.5752   -1.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2267   -0.8341    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710   -1.9296    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2029   -2.8031   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4299   -2.7809    0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.8312    2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6403   -1.7529    2.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0894    2.2983   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6646    2.4287   -2.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3708    3.8597   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0753    5.6678   -0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1838    5.2926   -2.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573    5.7816   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9386    6.6187   -2.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7989    4.9952   -2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5096    5.5548   -3.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909    6.7063   -2.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494    8.8365   -2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644    8.1491   -1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050    7.3478   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9443    7.9101    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  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
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  1  0  0  0  0
 28 58  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  1  0  0  0  0
 30 59  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  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
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 2738👍, 0💬