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
    4.9769   -0.0236   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.5977   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -0.0995   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    1.0005    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    1.4555    1.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370    0.8027    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871   -0.3028   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423   -0.7570   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814   -0.7614   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4953   -1.8318   -1.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -2.1349   -1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7550   -1.3104   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3777   -0.2377   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    0.0478    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622    0.9918    0.7337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494    2.0600    1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    0.8629    0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348   -0.4549   -0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305   -1.4672   -1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    1.5560    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656    2.3239    1.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5440   -1.6456   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273   -2.4504   -1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176   -2.9736   -2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099   -1.5387   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1379    0.3745    0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    2.3488    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9474    1.7849    1.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233    2.9779    0.8942 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