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
    4.8878   -0.8997   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -1.3758   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -0.5355   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    0.8304    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.6098    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1817    0.9511    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902   -0.4201   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -1.1697   -0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -0.8107   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038   -2.0191   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2787   -2.0817   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9855   -0.8843   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    0.3273    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637    0.3721    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    1.3987    0.1040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4211    2.8229    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   -1.5461   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0764    0.1529    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585   -2.4542   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    1.3521    0.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4197    2.6805    0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668   -2.2426   -0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3587   -2.9415   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8421   -2.9868   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0516   -0.9195   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8662    1.2704    0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    3.2390    1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5239    2.9200    0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803    3.3601   -0.6574 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