
 SMR000128117

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.4051   -0.5205    0.7174 C   0  0  0  0  0
    2.5300    0.1732    1.2376 O   0  0  0  0  0
    2.9602    1.2788    0.5556 C   0  0  0  0  0
    2.6756    1.6466   -0.7614 C   0  0  0  0  0
    3.2159    2.8210   -1.3026 C   0  0  0  0  0
    4.0969    3.6329   -0.5606 C   0  0  0  0  0
    4.3713    3.2546    0.7633 C   0  0  0  0  0
    3.8128    2.0940    1.3072 C   0  0  0  0  0
    4.7526    4.8983   -1.1208 C   0  0  0  0  0
    5.2368    4.6378   -2.5376 C   0  0  0  0  0
    5.8280    3.4626   -2.9903 C   0  0  0  0  0
    6.1490    3.5986   -4.3090 N   0  0  0  0  0
    5.8679    4.8719   -4.7339 C   0  0  0  0  0
    6.0817    5.4585   -5.9880 C   0  0  0  0  0
    5.7378    6.8018   -6.1455 C   0  0  0  0  0
    5.2020    7.5263   -5.0871 C   0  0  0  0  0
    4.9882    6.9204   -3.8423 C   0  0  0  0  0
    5.3152    5.5592   -3.6488 C   0  0  0  0  0
    3.7490    6.0052   -0.9118 C   0  0  0  0  0
    2.4528    6.1085   -1.3953 C   0  0  0  0  0
    1.9008    7.2715   -0.9331 N   0  0  0  0  0
    2.8131    7.9653   -0.1762 C   0  0  0  0  0
    2.6907    9.1985    0.4756 C   0  0  0  0  0
    3.8011    9.6762    1.1767 C   0  0  0  0  0
    4.9854    8.9464    1.2230 C   0  0  0  0  0
    5.0881    7.7123    0.5703 C   0  0  0  0  0
    3.9820    7.2033   -0.1444 C   0  0  0  0  0
    1.8945    0.8656   -1.5692 O   0  0  0  0  0
    1.0682   -1.2236    1.4862 H   0  0  0  0  0
    1.6803   -1.1127   -0.1607 H   0  0  0  0  0
    0.5702    0.1573    0.5098 H   0  0  0  0  0
    2.9734    3.1067   -2.3237 H   0  0  0  0  0
    5.0236    3.8640    1.3860 H   0  0  0  0  0
    4.0445    1.8210    2.3343 H   0  0  0  0  0
    5.6570    5.1068   -0.5334 H   0  0  0  0  0
    6.0270    2.5306   -2.4759 H   0  0  0  0  0
    6.5734    2.8837   -4.8828 H   0  0  0  0  0
    6.5128    4.8967   -6.8104 H   0  0  0  0  0
    5.9002    7.2884   -7.1040 H   0  0  0  0  0
    4.9499    8.5753   -5.2203 H   0  0  0  0  0
    4.5792    7.5175   -3.0333 H   0  0  0  0  0
    1.8745    5.4435   -2.0217 H   0  0  0  0  0
    0.9589    7.5851   -1.1239 H   0  0  0  0  0
    1.7691    9.7704    0.4406 H   0  0  0  0  0
    3.7388   10.6320    1.6919 H   0  0  0  0  0
    5.8402    9.3368    1.7699 H   0  0  0  0  0
    6.0220    7.1598    0.6140 H   0  0  0  0  0
    1.9395    1.2136   -2.4746 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 19 27  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 28 48  1  0  0  0
M  END

>  <Chemical Name>
SMR000128117

>  <PubChem CID>
7118245

>  <Formula>
C24H20N2O2

>  <Molecular Weight>
368.436000

>  <IUPAC Name>
5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)O

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)O

>  <InChI Std. ID>
InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3

>  <InChI Key>
CWMPUSKUSXTPAT-UHFFFAOYSA-N

