76694099
  -OEChem-05082423202D

 22 20  0     0  0  0  0  0  0999 V2000
    3.7817   -2.8019    0.0000 Rb  0  3  0  0  0  0  0  0  0  0  0  0
    8.1663   -0.2705    0.0000 Rb  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2568    0.0000 Rb  0  3  0  0  0  0  0  0  0  0  0  0
    6.4082    2.8019    0.0000 Rb  0  3  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    1.2742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.8020    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.3062    0.2395    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    1.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2465    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.4121    1.8019    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  7  1  0  0  0  0
  5 17  2  0  0  0  0
  6  8  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1  13  -1  14  -1  17  -1  18  -1
M  END
> <PUBCHEM_COMPOUND_CID>
76694099

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzAAAAAAAACAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHAAAAAAADAiBGAAwwIIAAACgAiRiRACCAAAgAAAIiAAQVJgIYCKAkJGAIABggAAIyAcQgAAOQAAAQAACACCAAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_CAS_NAME>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_NAME_MARKUP>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_NAME>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
rubidium(1+);2,4,7,9-tetrahydro-1,10-phenanthroline-2,4,7,9-tetraide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H4N2.4Rb/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;/h1-2,5-6H;;;;/q-4;4*+1

> <PUBCHEM_IUPAC_INCHIKEY>
JPNMHXRANHQMEF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
517.6819979

> <PUBCHEM_MOLECULAR_FORMULA>
C12H4N2Rb4

> <PUBCHEM_MOLECULAR_WEIGHT>
518.04

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C3=C1[C-]=C[C-]=N3)N=[C-]C=[C-]2.[Rb+].[Rb+].[Rb+].[Rb+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C3=C1[C-]=C[C-]=N3)N=[C-]C=[C-]2.[Rb+].[Rb+].[Rb+].[Rb+]

> <PUBCHEM_CACTVS_TPSA>
24.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
515.6846071

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  14  8
11  12  8
13  15  8
14  16  8
15  17  8
16  18  8
5  17  8
5  7  8
6  18  8
6  8  8
7  8  8
7  9  8
8  10  8
9  11  8
9  13  8

$$$$