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
    4.3658    1.3354    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0068    0.0752    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6093   -0.3123    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -1.6507   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903   -2.0559   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398   -1.1322   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570    0.2163   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    0.6138   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9343    0.9014   -0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2099    2.2520   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255    2.6503   -0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5170    1.7020   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297    0.3479   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.0658   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3830   -1.2885   -0.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102   -2.5472   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4270    1.5825    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979    2.1676    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7559   -0.7230    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -2.4254    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -3.1356   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777    1.6698   -0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4475    3.0149   -0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7819    3.7052   -0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5409    2.0367   -0.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0336   -0.3912   -0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -2.4163   -1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -2.7644    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -3.3625   -0.6267 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