Mrv1652304272019102D          

 24 27  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6000   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7750   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 19  2  0  0  0  0
 10 19  1  0  0  0  0
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 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
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 16 24  2  0  0  0  0
 17 21  2  0  0  0  0
 17 23  1  0  0  0  0
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 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005931

> <DATABASE_NAME>
CDB

> <SMILES>
C1=CC=C(C=C1)C1=CC(=CC=C1)C1=CC=CC(=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H18/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H

> <INCHI_KEY>
OWPJBAYCIXEHFA-UHFFFAOYSA-N

> <FORMULA>
C24H18

> <MOLECULAR_WEIGHT>
306.408

> <EXACT_MASS>
306.14085058

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
36.79357379510023

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3'-diphenyl-1,1'-biphenyl

> <ALOGPS_LOGP>
7.30

> <JCHEM_LOGP>
6.914921902

> <ALOGPS_LOGS>
-7.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
101.4666

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.75e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3'-diphenyl-1,1'-biphenyl

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005931

> <GENERIC_NAME>
Quaterphenyl

$$$$