Ellipticine
C17H14N2
519-23-3 Copyright (C) 2025 ACS
 19 22  0  0  0  0  0  0  0  0999 V2000
    4.0011    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994    4.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994    1.8341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4257    5.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2361    3.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9573    5.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8625    4.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <cas.rn>
519-23-3

> <cas.index.name>
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-

> <molecular.formula>
C17H14N2

> <molecular.weight>
246.31

> <melting.point.experimental>
313 °C

> <boiling.point.predicted>
495.375±40.00 °C    Press: 760.00 Torr

> <density.predicted>
1.257±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
16.586±0.40    Most Acidic Temp: 25 °C

$$$$
