Mrv1652306031608362D          

 29 33  0  0  0  0            999 V2000
    4.2125    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6695    2.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146    2.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439    5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    5.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7381    5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931    4.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890    4.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    2.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    2.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2902    5.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0971    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    3.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    6.6916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770    4.7793    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    6.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    6.3485    0.0000 N   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
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 15  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 16 14  2  0  0  0  0
 17  5  2  0  0  0  0
 18  6  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  2  0  0  0  0
 19 17  1  0  0  0  0
 20  8  2  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24 12  1  0  0  0  0
 24 22  2  0  0  0  0
 25 15  1  0  0  0  0
 25 16  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044830

> <DATABASE_NAME>
chemdb

> <SMILES>
NC1=C(Cl)C=C(C=C1)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(Cl)=C(N)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H18Cl2N2/c26-21-13-15(9-11-23(21)28)25(16-10-12-24(29)22(27)14-16)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14H,28-29H2

> <INCHI_KEY>
CIZUMWWHWPJAAK-UHFFFAOYSA-N

> <FORMULA>
C25H18Cl2N2

> <MOLECULAR_WEIGHT>
417.33

> <EXACT_MASS>
416.084704

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
44.0693668220823

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[9-(4-amino-3-chlorophenyl)-9H-fluoren-9-yl]-2-chloroaniline

> <ALOGPS_LOGP>
6.60

> <JCHEM_LOGP>
6.143930995333333

> <ALOGPS_LOGS>
-7.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.905453958177389

> <JCHEM_POLAR_SURFACE_AREA>
52.04

> <JCHEM_REFRACTIVITY>
123.09749999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.66e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline

> <JCHEM_VEBER_RULE>
0

> <NAME>
4,4'-(9H-fluoren-9-ylidene)bis(2-chloroaniline)

> <CAS>
107934-68-9

$$$$