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
    4.4172    1.2444   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999    0.0140   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6072   -0.3774   -0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -1.7227   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -2.0582   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952   -1.1440    0.1010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2753    0.1829    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097    0.5603   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8847    0.8944    0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    2.2324    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509    2.6886    0.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    1.8206    0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273    0.4727    0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448   -0.0152    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4285   -1.2516    0.2564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752   -2.4881    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    2.0679   -0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4789    1.5068   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569   -0.7819   -0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -2.4395   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831   -3.1133   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.6096   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180    2.9132    0.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702    3.7561    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    2.1743    0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0669   -0.2094    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5342   -3.3550    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -2.4593    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012   -2.7229   -0.7075 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