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
    4.9547   -0.4462   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384    0.3834   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900   -0.1208   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -1.4534   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532   -1.8622   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806   -0.9438   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    0.4054   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5258    0.7921   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858    1.0968   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355    2.4320   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572    2.8459   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    1.8903   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3383    0.5342   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078    0.1704   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4287   -1.0502   -0.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1270   -2.3110   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9714   -0.0185   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159   -1.5024   -0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1134    1.4526   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515   -2.2043   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084   -2.9261   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    1.8553   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463    3.1561   -0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447    3.8894   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7003    2.1416    0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0870   -0.2415    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2237   -2.1576   -0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -2.8533    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -2.9541   -0.9333 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