Mrv1572004201615492D          

 28 34  0  0  0  0            999 V2000
    9.3474    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 14 13  2  0  0  0  0
 17  7  2  0  0  0  0
 17 15  1  0  0  0  0
 18  8  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  2  0  0  0  0
 19 17  1  0  0  0  0
 20 10  2  0  0  0  0
 20 18  1  0  0  0  0
 21 11  2  0  0  0  0
 22 12  2  0  0  0  0
 22 21  1  0  0  0  0
 23 13  1  0  0  0  0
 23 19  1  0  0  0  0
 24 14  1  0  0  0  0
 24 20  1  0  0  0  0
 25 15  2  0  0  0  0
 25 21  1  0  0  0  0
 26 16  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 28 26  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016045

> <DATABASE_NAME>
chemdb

> <SMILES>
C1=CC=C2C(=C1)C=C1C3=CC=CC=C3C3=CC4=CC=CC=C4C4=C3C1=C2C=C4

> <INCHI_IDENTIFIER>
InChI=1S/C28H16/c1-3-9-19-17(7-1)15-25-21-11-5-6-12-22(21)26-16-18-8-2-4-10-20(18)24-14-13-23(19)27(25)28(24)26/h1-16H

> <INCHI_KEY>
LMNAZSSKDBUVFA-UHFFFAOYSA-N

> <FORMULA>
C28H16

> <MOLECULAR_WEIGHT>
352.436

> <EXACT_MASS>
352.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
41.68515439650466

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
heptacyclo[14.10.2.0²,⁷.0⁸,²⁸.0¹⁰,¹⁵.0¹⁹,²⁷.0²⁰,²⁵]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19(27),20,22,24-tetradecaene

> <ALOGPS_LOGP>
8.39

> <JCHEM_LOGP>
7.252357750666666

> <ALOGPS_LOGS>
-9.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
116.07319999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
heptacyclo[14.10.2.0²,⁷.0⁸,²⁸.0¹⁰,¹⁵.0¹⁹,²⁷.0²⁰,²⁵]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19(27),20,22,24-tetradecaene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dibenzo[<i>h</i>,<i>rst</i>]pentaphene

> <CAS>
192-47-2

$$$$