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
    4.5769   -0.2382    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    0.8903    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672    0.9729   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008    2.1889   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    2.3095   -0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3100    1.1374   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2808   -0.0971   -0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -0.1503    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -1.0870   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135   -2.4615    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827   -3.1733    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0100   -2.5316   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440   -1.1590   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -0.4288   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441    0.9019   -0.1334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    1.8881   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096   -1.2243    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6515   -0.2235    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675    1.8132    0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    3.0938   -0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564    3.2668   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0898   -1.1578    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3681   -2.9401    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994   -4.2572    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9135   -3.1153   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0135   -0.6466   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9065    2.0835   -1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978    1.5124    0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    2.8327    0.3382 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