6321422
  -OEChem-05042423442D

 60 63  0     0  0  0  0  0  0999 V2000
    9.4164    5.4971    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    9.4164    3.0001    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    3.1757    1.5902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1520    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1687    3.2019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    5.8472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    4.1524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    4.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1149    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192    1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    7.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5851    2.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    3.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9313    1.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    8.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779    0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    4.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    5.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    3.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6209    5.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    5.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6438    3.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5358    4.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1383    0.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    2.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    0.8160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4347    0.9577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2931    1.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    8.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185    8.9965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    8.5998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5710    1.3073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    4.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888    5.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038    2.4678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888    8.0549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    5.6889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6088    5.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2111    3.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6088    8.0549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    5.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4188    6.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  2  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 27  2  0  0  0  0
 15 29  1  0  0  0  0
 16 28  2  0  0  0  0
 16 30  1  0  0  0  0
 17 23  1  0  0  0  0
 17 37  1  0  0  0  0
 18 24  1  0  0  0  0
 18 38  1  0  0  0  0
 19 25  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 32  1  0  0  0  0
 28 52  1  0  0  0  0
 29 33  2  0  0  0  0
 29 53  1  0  0  0  0
 30 34  2  0  0  0  0
 30 54  1  0  0  0  0
 31 35  2  0  0  0  0
 31 55  1  0  0  0  0
 32 36  2  0  0  0  0
 32 56  1  0  0  0  0
 33 35  1  0  0  0  0
 33 57  1  0  0  0  0
 34 36  1  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
 36 60  1  0  0  0  0
M  CHG  4   1  -1   2  -1   3   1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
6321422

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
643

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAGAAAAAAAAAAAAAAAAWLAAAA8eIEAAAAAAFgB/gAAHAAIAAAADAjBHwQ/sJ8MGACiAzZnZACChC0xEqAd2CA4dJiIaOLAmZGUIAhogALIyCcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(E)-bis(3-methyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-1-yl)diazene;dibromide

> <PUBCHEM_IUPAC_CAS_NAME>
(E)-bis(3-methyl-2-phenyl-1-imidazo[1,2-a]pyridin-4-iumyl)diazene;dibromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>E</I>)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene;dibromide

> <PUBCHEM_IUPAC_NAME>
(E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene;dibromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(E)-bis(3-methyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-1-yl)diazene;dibromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-bis(3-methyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-1-yl)diazene;dibromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H24N6.2BrH/c1-21-27(23-13-5-3-6-14-23)33(25-17-9-11-19-31(21)25)29-30-34-26-18-10-12-20-32(26)22(2)28(34)24-15-7-4-8-16-24;;/h3-20H,1-2H3;2*1H/q+2;;/p-2/b30-29+;;

> <PUBCHEM_IUPAC_INCHIKEY>
LBOZSXSPRGACHC-NFOZGECASA-L

> <PUBCHEM_EXACT_MASS>
604.04087

> <PUBCHEM_MOLECULAR_FORMULA>
C28H24Br2N6

> <PUBCHEM_MOLECULAR_WEIGHT>
604.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N(C2=CC=CC=[N+]12)N=NN3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6.[Br-].[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N(C2=CC=CC=[N+]12)/N=N/N3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6.[Br-].[Br-]

> <PUBCHEM_CACTVS_TPSA>
42.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
602.04292

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
13  19  8
14  20  8
15  27  8
15  29  8
16  28  8
16  30  8
17  23  8
18  24  8
19  25  8
20  26  8
23  25  8
24  26  8
27  31  8
28  32  8
29  33  8
3  11  8
3  13  8
3  17  8
30  34  8
31  35  8
32  36  8
33  35  8
34  36  8
4  12  8
4  14  8
4  18  8
5  13  8
5  9  8
6  10  8
6  14  8
9  11  8

$$$$