2794
  -OEChem-04232407202D

 55 59  0     0  0  0  0  0  0999 V2000
    4.6660    5.0121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -5.0121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.0362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    2.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    2.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244    2.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -2.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244   -2.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525   -3.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205   -3.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846   -4.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343   -0.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    2.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    2.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3685    2.0038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5921    2.8516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7443    3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323    3.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7862    2.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0164    1.9947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    3.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5945   -2.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -2.1967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5883   -3.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7824   -3.8167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 33  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  5 39  1  0  0  0  0
  6 11  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  2  0  0  0  0
 14 35  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 26  1  0  0  0  0
 19 40  1  0  0  0  0
 20 27  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 29 31  1  0  0  0  0
 29 52  1  0  0  0  0
 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 33  2  0  0  0  0
 31 54  1  0  0  0  0
 32 33  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2794

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
829

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAGAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBUAAAHAIQAAAACCrBECQywIPAAACgASRiRACCAAAhBwAIiAAQdpgIYGLBk5GUIAhgkADIyAcQAAAAAABAAAAAACAAAIAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,5-bis(4-chlorophenyl)-3-isopropylimino-phenazin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N,5-bis(4-chlorophenyl)-3-propan-2-ylimino-2-phenazinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

> <PUBCHEM_IUPAC_NAME>
N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,5-bis(4-chlorophenyl)-3-propan-2-ylimino-phenazin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-chlorophenyl)-[5-(4-chlorophenyl)-3-isopropylimino-phenazin-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
WDQPAMHFFCXSNU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
7.1

> <PUBCHEM_EXACT_MASS>
472.1221521

> <PUBCHEM_MOLECULAR_FORMULA>
C27H22Cl2N4

> <PUBCHEM_MOLECULAR_WEIGHT>
473.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl

> <PUBCHEM_CACTVS_TPSA>
40

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
472.1221521

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  13  8
12  18  8
13  14  8
15  19  8
15  20  8
16  21  8
18  22  8
19  26  8
20  27  8
21  22  8
23  29  8
23  30  8
26  28  8
27  28  8
29  31  8
3  7  8
3  9  8
30  32  8
31  33  8
32  33  8
4  12  8
4  8  8
7  10  8
8  14  8
9  12  8
9  16  8

$$$$