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
   -4.9110   -0.6738   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236   -1.2133   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -0.4683   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129    0.8986    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3314    1.6437    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456    0.9624    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0745   -0.4191   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -1.1160   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426   -0.8262   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022   -2.0811   -0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -2.2043   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523   -1.0645   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643    0.1742   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9813    0.3336   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1497    1.3923    0.0903 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5407    2.7733    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7886   -1.3040   -0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1218    0.3815   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6414   -2.2984   -0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4301    1.4791    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293    2.7130    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632   -2.1955   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -2.9939   -0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   -3.1896   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0304   -1.1756   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    1.0462    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    2.9315   -0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7342    3.4328   -0.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    3.0615    1.2657 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