68203
  -OEChem-05052412592D

 70 77  0     0  0  0  0  0  0999 V2000
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572   -1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7571    1.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240    1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2632   -1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2632    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070    0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7399   -2.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1055    2.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -2.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7399    2.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3392   -2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3392    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9668   -2.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9668    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0710   -3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367    3.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367   -3.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0710    3.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9972   -3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9972    3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -3.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248    3.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4195   -3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194    3.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401   -3.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400    3.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2561   -1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2561    1.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7427   -0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7427    0.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1439   -1.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962    2.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4963   -2.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1439    1.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407   -1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407    1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774   -2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6803   -3.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    4.1507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327   -4.1507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6803    3.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867   -3.1608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866    3.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0233   -4.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0233    4.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6248   -4.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6247    4.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280   -4.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279    4.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  2  0  0  0  0
 13 29  1  0  0  0  0
 14 28  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 16 20  1  0  0  0  0
 16 44  1  0  0  0  0
 17 21  2  0  0  0  0
 17 45  1  0  0  0  0
 18 22  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 31  1  0  0  0  0
 23 51  1  0  0  0  0
 24 32  1  0  0  0  0
 24 52  1  0  0  0  0
 25 33  2  0  0  0  0
 25 53  1  0  0  0  0
 26 34  2  0  0  0  0
 26 54  1  0  0  0  0
 27 35  1  0  0  0  0
 27 55  1  0  0  0  0
 28 36  1  0  0  0  0
 28 56  1  0  0  0  0
 29 37  2  0  0  0  0
 29 57  1  0  0  0  0
 30 38  2  0  0  0  0
 30 58  1  0  0  0  0
 31 39  2  0  0  0  0
 31 59  1  0  0  0  0
 32 40  2  0  0  0  0
 32 60  1  0  0  0  0
 33 39  1  0  0  0  0
 33 61  1  0  0  0  0
 34 40  1  0  0  0  0
 34 62  1  0  0  0  0
 35 41  2  0  0  0  0
 35 63  1  0  0  0  0
 36 42  2  0  0  0  0
 36 64  1  0  0  0  0
 37 41  1  0  0  0  0
 37 65  1  0  0  0  0
 38 42  1  0  0  0  0
 38 66  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
 41 69  1  0  0  0  0
 42 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68203

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
696

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_CAS_NAME>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_NAME>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6,11,12-tetraphenyltetracene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H

> <PUBCHEM_IUPAC_INCHIKEY>
YYMBJDOZVAITBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
12.2

> <PUBCHEM_EXACT_MASS>
532.219100893

> <PUBCHEM_MOLECULAR_FORMULA>
C42H28

> <PUBCHEM_MOLECULAR_WEIGHT>
532.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
532.219100893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <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>
1  2  8
1  3  8
1  5  8
10  18  8
11  23  8
11  25  8
12  24  8
12  26  8
13  27  8
13  29  8
14  28  8
14  30  8
15  19  8
16  20  8
17  21  8
18  22  8
19  20  8
2  4  8
2  6  8
21  22  8
23  31  8
24  32  8
25  33  8
26  34  8
27  35  8
28  36  8
29  37  8
3  7  8
30  38  8
31  39  8
32  40  8
33  39  8
34  40  8
35  41  8
36  42  8
37  41  8
38  42  8
4  8  8
5  9  8
6  10  8
7  15  8
7  8  8
8  16  8
9  10  8
9  17  8

$$$$