Chem Triphenylamine Nn Diphenylbenzenamine

Compound 52
  CheckMol                        TMF02:r0:m0
MF=C36H30N2 MW=490.65
 38 42  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5136    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7332   -1.2890   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7332    1.3126   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2705    1.3244   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2705   -1.2771   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0237   -2.5779   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2232   -1.2771   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2232    1.3244   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0237    2.6252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7841    1.3363   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7841   -1.2653   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7095   -3.8669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9682   -2.5661   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9563    2.6370   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7213    3.9378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5409    0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1995   -3.8551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1995    3.9497   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.6088    0.0946   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988    0.1064   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8520    1.4072   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8520   -1.1944   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.8320   -1.1825   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.8320    1.4190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.5852    2.7198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3384    1.4190   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3384   -1.1825   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.5852   -2.4833   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.3220   -1.1707   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   12.3220    1.4309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8284    4.0324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5816    2.7316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5816   -2.4715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.8165   -3.7723   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   13.0552    0.1419   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3147    4.0443   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3147   -3.7605   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5 02  0  1  0  0
  2  6 01  0  1  0  0
  3  7 02  0  1  0  0
  3  8 01  0  1  0  0
  4  9 02  0  1  0  0
  4 10 01  0  1  0  0
  5 11 01  0  1  0  0
  6 12 02  0  1  0  0
  7 13 01  0  1  0  0
  8 14 02  0  1  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 11 17 02  0  1  0  0
 13 18 02  0  1  0  0
 15 19 02  0  1  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24 02  0  1  0  0
 21 25 01  0  1  0  0
 22 26 02  0  1  0  0
 22 27 01  0  1  0  0
 23 28 02  0  1  0  0
 23 29 01  0  1  0  0
 24 30 01  0  1  0  0
 25 31 02  0  1  0  0
 26 32 01  0  1  0  0
 27 33 02  0  1  0  0
 28 34 01  0  1  0  0
 29 35 02  0  1  0  0
 30 36 02  0  1  0  0
 32 37 02  0  1  0  0
 34 38 02  0  1  0  0
 12 17 01  0  1  0  0
 14 18 01  0  1  0  0
 16 19 01  0  1  0  0
 31 36 01  0  1  0  0
 33 37 01  0  1  0  0
 35 38 01  0  1  0  0
M  END

Triphenylamine N,N-Diphenylbenzenamine

₹ 0.00 0.00

Chemical Name - Triphenylamine N,N-Diphenylbenzenamine
Mol Weight - 245.324
Smiles - c(cc1)ccc1N(c1ccccc1)c1ccccc1.c(cc1)ccc1N(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	Triphenylamine N,N-Diphenylbenzenamine
Molweight	245.324
Monoisotopic Mass	245.120449
Clogp	4.254
Clogs	-5.792
H Acceptors	1
Total Surface Area	203.08
Relative Psa	0.017481
Polar Surface Area	3.24
Druglikeness	0.25429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.47368
Molecular Flexibility	0.35929
Molecular Complexity	0.4995
Fragments	2
Non H Atoms	19
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetric Atoms	14
Amines	1
Aromatic Amines	1
Smiles	c(cc1)ccc1N(c1ccccc1)c1ccccc1.c(cc1)ccc1N(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/2C18H15N/c21-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h21-15H
InChI	HBOOYWBNOJNKIA-UHFFFAOYSA-N

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1 - Triphenylamine N,N-Diphenylbenzenamine
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Triphenylamine N,N-Diphenylbenzenamine