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
    4.9651   -0.1918   -0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9247   -0.7645   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -0.2073   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    0.9728   -1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915    1.4640   -1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    0.8081   -0.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -0.3755    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -0.8610    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0142   -0.8060    0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737   -1.9129    1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -2.0885    1.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912   -1.1845    1.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3213   -0.0763    0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9972    0.0968    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3855    1.0839   -0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0813    2.2315   -0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9447   -0.6509   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.7371   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464   -1.6964    0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    1.5137   -1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    2.3919   -1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015   -1.7900    0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6244   -2.6463    1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9956   -2.9570    2.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7307   -1.3599    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1040    0.6216    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3742    3.0518   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7097    1.9442   -1.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7409    2.6513   -0.1261 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