
 Phenindamine

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.9955    0.3521   -0.9003 C   0  0  0  0  0
    2.1797    0.0739   -0.0866 N   0  0  0  0  0
    3.1558    1.1831   -0.1491 C   0  0  0  0  0
    3.8417    1.3860   -1.5204 C   0  0  0  0  0
    4.1892    0.0724   -2.1180 C   0  0  0  0  0
    3.7288   -1.1007   -1.6483 C   0  0  0  0  0
    2.8053   -1.2095   -0.4785 C   0  0  0  0  0
    4.2875   -2.2952   -2.3964 C   0  0  0  0  0
    5.1645   -1.5905   -3.4119 C   0  0  0  0  0
    5.9668   -2.1395   -4.4012 C   0  0  0  0  0
    6.6941   -1.2697   -5.2162 C   0  0  0  0  0
    6.6163    0.1212   -5.0318 C   0  0  0  0  0
    5.8095    0.6662   -4.0284 C   0  0  0  0  0
    5.0896   -0.1991   -3.2241 C   0  0  0  0  0
    3.2208   -3.1939   -2.9920 C   0  0  0  0  0
    2.3718   -2.7557   -4.0225 C   0  0  0  0  0
    1.3847   -3.5962   -4.5400 C   0  0  0  0  0
    1.2263   -4.8828   -4.0305 C   0  0  0  0  0
    2.0538   -5.3301   -3.0031 C   0  0  0  0  0
    3.0438   -4.4920   -2.4863 C   0  0  0  0  0
    0.5294    1.2933   -0.5877 H   0  0  0  0  0
    0.2416   -0.4295   -0.7524 H   0  0  0  0  0
    1.2105    0.4161   -1.9722 H   0  0  0  0  0
    3.9303    0.9909    0.6063 H   0  0  0  0  0
    2.6783    2.1210    0.1613 H   0  0  0  0  0
    4.7396    1.9983   -1.3800 H   0  0  0  0  0
    3.1724    1.9284   -2.1982 H   0  0  0  0  0
    2.0268   -1.9589   -0.6636 H   0  0  0  0  0
    3.3819   -1.5822    0.3775 H   0  0  0  0  0
    4.9397   -2.8640   -1.7208 H   0  0  0  0  0
    6.0227   -3.2135   -4.5456 H   0  0  0  0  0
    7.3275   -1.6721   -6.0036 H   0  0  0  0  0
    7.1913    0.7806   -5.6779 H   0  0  0  0  0
    5.7548    1.7402   -3.8901 H   0  0  0  0  0
    2.4765   -1.7516   -4.4297 H   0  0  0  0  0
    0.7393   -3.2442   -5.3406 H   0  0  0  0  0
    0.4563   -5.5356   -4.4328 H   0  0  0  0  0
    1.9269   -6.3321   -2.6019 H   0  0  0  0  0
    3.6758   -4.8599   -1.6808 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
Phenindamine

>  <PubChem CID>
11291

>  <Formula>
C19H19N

>  <Molecular Weight>
261.368000

>  <IUPAC Name>
2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3

>  <InChI Key>
ISFHAYSTHMVOJR-UHFFFAOYSA-N

