Monomers

1,1-Diphenylethylene

Identifiers

IUPAC name
1-phenylethenylbenzene
InchI
InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InchI Key
ZMYIIHDQURVDRB-UHFFFAOYSA-N
SMILES
C=C(c1ccccc1)c1ccccc1
Canonical SMILES
C=C(C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES
C=C(C1=CC=CC=C1)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H12
Heavy Atom Count
14
Molecular Weight
180.25
Exact Molecular Weight
180.0939
Valence Electrons
68
Radical Electrons
0
tPSA
0.0
MolLogP
3.7481
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -0.2716   -2.3133   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1031   -1.0108   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030   -0.1809   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140   -0.5843   -0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6785    0.1565   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6049    1.3376    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237    1.7827    0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    1.0021    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511   -0.4954   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935    0.7924   -0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814    1.3435   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8069    0.5361   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -0.7594    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223   -1.2670    0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2509   -2.7513   -0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5748   -2.9645   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5897   -1.4926   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6026   -0.2036   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5115    1.9210    0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136    2.7164    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941    1.3796    1.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    1.3920   -0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9326    2.3648   -0.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    0.9276   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609   -1.3578    0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1928   -2.2714    0.5958 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
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  8  3  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers