Molecule FYI-1014289

A

Molecule Summary:

ID: FYI-1014289
Names:
InChIKey: AUFKOSNMJAYSCA-UHFFFAOYSA-N
SMILES: Oc3c(c2cc(c1ccco1)[nH]n2)ccc4ccccc34

Received at FYIcenter.com on: 2025-03-24

Molecule ID: FYI-1014289 Edit

Molecule Structure InChIKey: AUFKOSNMJAYSCA-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3c(c2cc(c1ccco1)[nH]n2)ccc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014289
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6009    8.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    5.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0259    5.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2383    5.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2383    7.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    8.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2383   10.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0259    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0259    8.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6009    5.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220    5.7845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852    4.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4546    3.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014289-3D
FYIcenter.com

 33 36  0     0  0  0  0  0  0999 V2000
   -1.1279   -1.8023    0.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257   -0.0262    0.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868    0.4341    1.4839 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0648    0.6105    1.6493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8366    0.5181    0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480   -0.4866    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -0.5954    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5886    0.7697   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5763    0.4158    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3684    1.7537   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471    0.1369    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7352    1.8801   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    0.1171   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9012   -1.5970    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9667    0.8785   -0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -0.0883   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2680   -1.4709   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7997   -0.2356   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439   -0.3934   -1.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9488   -0.5256   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2533   -0.2930   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339    2.6325   -0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -0.0839   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1291    2.8555   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5446   -2.5807    0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4042    1.8344   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    0.5325    2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9182   -2.3364   -0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8639   -0.1378   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9505   -0.5093   -2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -2.5206    0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.7612   -2.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1744   -0.2805    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 31  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$

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2025-04-11, 421👍, 0💬