9551998
  -OEChem-04252406382D

 53 57  0     0  0  0  0  0  0999 V2000
    2.5423    4.8167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7522    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.0722    4.3167    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1259    5.6214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9702    2.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0722    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9382    5.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9382    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8042    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1259    4.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9221    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    6.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7142    3.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8202    2.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7222    2.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831    7.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8285    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0423    5.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0423    3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5261    7.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724    8.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    8.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9535    1.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8889    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    5.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423    4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833    9.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3367    6.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5396    6.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4148    5.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163    5.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9333    3.4227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2475    4.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2604    2.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4227    6.3167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0898    7.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3666    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523    6.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523    3.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194    7.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865    8.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4130    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8865    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    6.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7323    3.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4726    9.6161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   10.0129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    9.2309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 37  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 20 25  2  0  0  0  0
 20 41  1  0  0  0  0
 21 28  2  0  0  0  0
 21 42  1  0  0  0  0
 22 29  1  0  0  0  0
 22 43  1  0  0  0  0
 23 30  2  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 31  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 32 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
9551998

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
612

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAGAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAFix/AAAHABAAAABrAjBHwQ/0PcMEACgAzZnZACCgC0xEqQJ2CA4dLiIaOLAmZGUIAhogALIyjcQgMAOSgAAQAACACCUAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-(4-bromophenyl)-9-(p-tolyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_CAS_NAME>
10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_NAME>
10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-(4-bromophenyl)-9-(4-methylphenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-(4-bromophenyl)-9-(p-tolyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium;bromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H21BrN3.BrH/c1-18-4-13-23(14-5-18)31-24(19-8-11-22(28)12-9-19)17-30-25(31)15-10-21-7-6-20-3-2-16-29-26(20)27(21)30;/h2-9,11-14,16-17H,10,15H2,1H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
RNPPZAGTOGYHEM-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
547.00817

> <PUBCHEM_MOLECULAR_FORMULA>
C27H21Br2N3

> <PUBCHEM_MOLECULAR_WEIGHT>
547.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Br)C5=C(CC3)C=CC6=C5N=CC=C6.[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Br)C5=C(CC3)C=CC6=C5N=CC=C6.[Br-]

> <PUBCHEM_CACTVS_TPSA>
21.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
545.01022

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  12  8
13  16  8
14  19  8
14  20  8
15  18  8
16  18  8
16  21  8
17  22  8
17  23  8
19  24  8
20  25  8
21  28  8
22  29  8
23  30  8
24  26  8
25  26  8
27  28  8
29  31  8
3  12  8
3  6  8
30  31  8
4  11  8
4  6  8
5  13  8
5  27  8
9  10  8
9  13  8

$$$$