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
    4.9345    0.0013   -0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.6863   -0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -0.1013   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    1.2422    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157    1.7389    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.9372    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541   -0.4032   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3817   -0.9283   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -0.9878   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -2.2838   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906   -2.5901   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -1.5557    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3359   -0.2616    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815    0.0472    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3110    1.1997    0.3659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    2.4881    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8863   -0.4893   -0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936    1.0572   -0.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672   -1.7460   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386    1.9330    0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    2.7888    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012   -1.9756   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308   -3.0549   -0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -3.6096   -0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084   -1.7721    0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0009    0.5587    0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165    2.4653    1.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727    2.7202   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877    3.2677    0.6351 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