60210723
  -OEChem-05092411222D

 29 31  0     0  0  0  0  0  0999 V2000
    5.9344    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4344    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2434    1.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358    1.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -0.3943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    2.3503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331    1.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5315   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -0.0575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3374   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    2.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9344   -2.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.4833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  2  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 21  1  0  0  0  0
 10 15  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60210723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAAABQAAAHAAAAAAADIjBGAQxAIIAAACgAjBjJACCAAEgAAAIiAAgBIgIICKAkRGAIABggAAIiAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_CAS_NAME>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_NAME>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,4-diphenylimidazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2/c1-3-7-13(8-4-1)15(11-16-12-17-15)14-9-5-2-6-10-14/h1-12H

> <PUBCHEM_IUPAC_INCHIKEY>
DEKUCXKLJFRKMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
220.100048391

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2

> <PUBCHEM_MOLECULAR_WEIGHT>
220.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2(C=NC=N2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
24.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.100048391

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  15  8
12  16  8
13  17  8
14  16  8
15  17  8
4  7  8
4  9  8
5  10  8
5  8  8
7  12  8
8  13  8
9  14  8

$$$$