720071
  -OEChem-05102403342D

 40 43  0     0  0  0  0  0  0999 V2000
    4.6701   -0.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.0036    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1701    1.0036    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.2564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    1.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7085    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    0.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714   -0.1390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    1.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2533   -0.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5796    2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4572    0.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1204    2.1658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 15  2  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  2  0  0  0  0
 12 29  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
720071

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
466

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAABUAAAHAAIAAAACAiBEAQxwIMAAACgACRDZACSBAEhAgAdiAAIZIiIICLAmZGEIAhggAJIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

> <PUBCHEM_IUPAC_CAS_NAME>
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

> <PUBCHEM_IUPAC_NAME>
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,1,4-triphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-imine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1,4-diphenyl-4-aza-1-azonia-2-azanidacyclopent-5-en-3-ylidene)-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H

> <PUBCHEM_IUPAC_INCHIKEY>
CWGBFIRHYJNILV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
312.137496527

> <PUBCHEM_MOLECULAR_FORMULA>
C20H16N4

> <PUBCHEM_MOLECULAR_WEIGHT>
312.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N=C2[N-][N+](=CN2C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
19.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.137496527

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1  5  8
1  7  8
10  15  8
11  16  8
12  17  8
13  20  8
13  21  8
14  18  8
15  18  8
16  19  8
17  19  8
2  3  8
2  5  8
20  22  8
21  23  8
22  24  8
23  24  8
3  7  8
6  10  8
6  9  8
8  11  8
8  12  8
9  14  8

$$$$