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
    5.0153   -0.2262    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9046    0.4529   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -0.0879    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957   -1.3530    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9709   -1.7819    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -0.9437    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1778    0.3173    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    0.7258   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318    0.9710   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    2.2582   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573    2.6533   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6717    1.7652   -0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3486    0.4903   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0253    0.0699    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340   -1.0655    0.5088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -2.2519    0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9284   -1.2400    0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0038    0.2106    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259    1.4773   -0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0988   -2.0387    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -2.7925    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599    1.7317   -0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5107    2.9195   -0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633    3.6582   -1.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7162    2.0802   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1146   -0.2368    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -2.8353   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -2.0416    1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -2.8862    1.5292 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