76840387
  -OEChem-04192404212D

 43 45  0     0  0  0  0  0  0999 V2000
    8.8658    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    7.5517    3.1547    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.6547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    5.6615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    6.6547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    4.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9858    5.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838    6.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2838    5.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2838    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    4.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    6.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    3.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    4.6547    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.2838    3.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2838    8.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1498    3.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    1.9654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    4.3107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    5.9764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    6.8093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    4.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867    6.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867    7.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2838    2.5347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2838    8.7747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867    3.3447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    7.9647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  2  0  0  0  0
  4  7  1  0  0  0  0
  4 17  2  0  0  0  0
  5 19  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 39  1  0  0  0  0
 24 27  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 28  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  CHG  1  24  -1
M  END
> <PUBCHEM_COMPOUND_CID>
76840387

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
458

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAEAAAAAAABAAAAAAAAAAAAAA8WLECAAAAAACx/gAAHABAAAABjAjBHgQ8wPIIEACgAzRnRACCgCQxEiAI2CA4dJgIYOLAkZGUIAhggADIyAcQgMAOQAAAQAACACCAAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3-bromo-1-benzene-6-idyl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_NAME>
2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-bromanylbenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3-bromobenzene-6-id-1-yl)pyridine;1,10-phenanthroline;platinum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8N2.C11H7BrN.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;/h1-8H;1-3,5-8H;/q;-1;

> <PUBCHEM_IUPAC_INCHIKEY>
GCMBHUOFXIWWPG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
607.00973

> <PUBCHEM_MOLECULAR_FORMULA>
C23H15BrN3Pt-

> <PUBCHEM_MOLECULAR_WEIGHT>
608.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C2=[C-]C=CC(=C2)Br.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Pt]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C2=[C-]C=CC(=C2)Br.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Pt]

> <PUBCHEM_CACTVS_TPSA>
38.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
607.00973

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
12  14  8
13  15  8
14  16  8
15  17  8
18  20  8
18  24  8
19  21  8
20  22  8
21  23  8
22  25  8
23  26  8
24  27  8
25  27  8
26  28  8
3  16  8
3  6  8
4  17  8
4  7  8
5  19  8
5  28  8
6  7  8
6  8  8
7  9  8
8  10  8
8  12  8
9  11  8
9  13  8

$$$$