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
    5.0224   -0.2171   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -0.8533   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.1638   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362    1.1834    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586    1.7465    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139    0.9806    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1634   -0.3828   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236   -0.9224   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.9383   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833   -2.2329   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9424   -2.5214   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8100   -1.4612    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862   -0.1550    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183    0.1034    0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3113    1.2515    0.1950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071    2.5531    0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588   -0.7799   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    0.8561   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9016   -1.9360   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.8258    0.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    2.8236    0.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -2.0025   -0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8435   -3.0210   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -3.5342   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8731   -1.6485    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735    0.6767    0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559    2.5551   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2934    3.3406   -0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    2.8740    1.3887 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