2,2′,2′′-[1,3,5-Benzenetriyltris(oxy)]tris[6-methylpyridine]
C24H21N3O3
2389235-01-0 Copyright (C) 2024 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    4.6201   10.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    8.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101   12.0033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    9.3360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203   10.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 16  1  0  0  0  0
  5 22  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
> <cas.rn>
2389235-01-0

> <cas.index.name>
Pyridine, 2,2′,2′′-[1,3,5-benzenetriyltris(oxy)]tris[6-methyl-

> <molecular.formula>
C24H21N3O3

> <molecular.weight>
399.44

> <boiling.point.predicted>
529.496±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.212±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.357±0.10    Most Basic Temp: 25 °C

$$$$
