Monomers

9-Methyl-3-vinyl-9H-carbazole

Identifiers

IUPAC name
3-ethenyl-9-methylcarbazole
InchI
InChI=1S/C15H13N/c1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2/h3-10H,1H2,2H3
InchI Key
YNTFCIUHPYUCDD-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(c1)c1ccccc1n2C
Canonical SMILES
CN1C2=C(C=C(C=C2)C=C)C3=CC=CC=C31
Isomeric SMILES
CN1C2=C(C=C(C=C2)C=C)C3=CC=CC=C31
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H13N
Heavy Atom Count
16
Molecular Weight
207.276
Exact Molecular Weight
207.1048
Valence Electrons
78
Radical Electrons
0
tPSA
4.93
MolLogP
3.9745
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
3

MOL File


     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.9769   -0.5926   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7853   -1.1308   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -0.3989   -0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790    0.9404    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    1.6376    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0909    0.9894    0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322   -0.3508   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069   -1.0412   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1859   -0.7977   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224   -2.0404   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0804   -2.2320   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164   -1.1585   -0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586    0.0738    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985    0.2847    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    1.3388    0.3245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    2.6720    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1056    0.4459    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8899   -1.1556   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7190   -2.1811   -0.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153    1.4950    0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878    2.6860    0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984   -2.0833   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0788   -2.8814   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -3.1736   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9963   -1.2876   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0131    0.9093    0.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711    2.6235    1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9186    3.1546   -0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341    3.2545    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
  8  3  1  0
 14  9  1  0
 15  6  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  4 20  1  0
  5 21  1  0
  8 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 13 26  1  0
 16 27  1  0
 16 28  1  0
 16 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers