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
    4.9672   -0.2191   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077    0.5251   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836   -0.0466   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135   -1.3795   -0.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0028   -1.8489   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -0.9619    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1837    0.3969   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832    0.8234   -0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218    1.0652   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3806    2.3900   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101    2.7068   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7011    1.7415    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3054    0.4008    0.1747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833    0.0708    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -1.1252    0.1206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0574   -2.3969    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123   -1.2845   -0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    0.2344   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976    1.5935   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250   -2.1037   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -2.9355    0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362    1.9049   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6535    3.1733   -0.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431    3.7397   -0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7465    2.0235    0.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981   -0.3396    0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -2.3913   -0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -3.2471    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893   -2.5098    1.2696 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