Mrv1572004191601212D          

 24 29  0  0  0  0            999 V2000
   -1.0920    3.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3204    3.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201    3.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074    2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9971   -0.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    2.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    3.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2019    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9051    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    1.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392    3.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0800    2.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286    3.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    2.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157    2.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498    0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    1.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5369    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    1.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134    1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7240    2.1032    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
 15  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  2  0  0  0  0
 17 15  1  0  0  0  0
 18 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  2  0  0  0  0
 21 17  1  0  0  0  0
 22 13  2  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004427

> <DATABASE_NAME>
chemdb

> <SMILES>
C1=CC=C2C(=C1)C1=CC3=CC=CC=C3C3=CC4=CC=CC=C4C2=C13

> <INCHI_IDENTIFIER>
InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H

> <INCHI_KEY>
JHOWUOKQHJHGMU-UHFFFAOYSA-N

> <FORMULA>
C24H14

> <MOLECULAR_WEIGHT>
302.376

> <EXACT_MASS>
302.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
35.649985930904705

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexacyclo[14.7.1.0²,⁷.0⁸,²⁴.0⁹,¹⁴.0¹⁷,²²]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene

> <ALOGPS_LOGP>
7.15

> <JCHEM_LOGP>
6.2628809940000005

> <ALOGPS_LOGS>
-8.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
99.62299999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.80e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibenzo(a,e)fluoranthene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Dibenzo(a,e)fluoranthene

> <CAS>
5385-75-1

> <SYNONYMS>
Dibenzo (a,e) fluoranthene; Dibenzo[<i>a</i>,<i>e</i>]fluoranthene

$$$$