Mrv1652306031608442D          

 30 34  0  0  0  0            999 V2000
   -1.9192    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1076   -1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2163    2.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6024    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6643    3.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
 18 17  2  0  0  0  0
 20  1  1  0  0  0  0
 20  9  2  0  0  0  0
 20 10  1  0  0  0  0
 21  2  1  0  0  0  0
 21 11  2  0  0  0  0
 21 12  1  0  0  0  0
 22 13  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 24 19  2  0  0  0  0
 25  7  2  0  0  0  0
 26 18  1  0  0  0  0
 26 25  1  0  0  0  0
 27  8  2  0  0  0  0
 27 25  1  0  0  0  0
 28 19  1  0  0  0  0
 28 26  2  0  0  0  0
 29  3  1  0  0  0  0
 29  4  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 22  1  0  0  0  0
 30 23  1  0  0  0  0
 30 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044985

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC=C(C=C1)N(C1=CC=C(C)C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H27N/c1-20-9-13-22(14-10-20)30(23-15-11-21(2)12-16-23)24-17-18-26-25-7-5-6-8-27(25)29(3,4)28(26)19-24/h5-19H,1-4H3

> <INCHI_KEY>
DFQSBKNRMOWBLN-UHFFFAOYSA-N

> <FORMULA>
C29H27N

> <MOLECULAR_WEIGHT>
389.542

> <EXACT_MASS>
389.214349873

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
47.38785222721027

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9,9-dimethyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine

> <ALOGPS_LOGP>
8.06

> <JCHEM_LOGP>
8.674488673666666

> <ALOGPS_LOGS>
-7.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.995425013529616

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
137.6344

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.18e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
9,9-dimethyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine

> <CAS>
132571-92-7

$$$$