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
    4.2888   -1.4657   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759   -0.2066    0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976    0.2448    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516    1.6014    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0393    2.0080    0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0098    1.1287    0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2796   -0.1995    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756   -0.6637   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213   -0.8550   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258   -2.1828   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601   -2.5247   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5609   -1.5833   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -0.2643    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9104    0.1177    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498    1.3211    0.2996 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0698    2.5580    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -2.2822   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3431   -1.7400   -0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    0.5304    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    2.3000    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    3.0771    0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -1.7118   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -2.9265   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -3.5649   -0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6078   -1.8799   -0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966    0.5089    0.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928    2.4869    1.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082    2.7446   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104    3.4234    0.5362 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