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
    4.9659   -0.1849   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8879    0.5570   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686   -0.0144   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347   -1.3435    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298   -1.7844    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706   -0.9575    0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    0.3632   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458    0.8267   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    1.0169   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    2.3231   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594    2.6899   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    1.7370   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3218    0.4301    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9944    0.0427    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -1.1498    0.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729   -2.4003    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9628    0.2608   -0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425   -1.2290   -0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865    1.6127   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673   -2.0482    0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909   -2.8509    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6091    1.8913   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    3.0862   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441    3.7399   -0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    2.0103    0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0539   -0.3488    0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4585   -2.4154    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -3.2380    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8673   -2.6227   -0.1291 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