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
    0.2131   -2.3362    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -1.0438    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -0.4501    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5113    0.7216   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    1.3028   -0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372    0.7106    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5904   -0.4640    0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3328   -1.0294    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2885   -0.2256    0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   -0.8189   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   -0.1238   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    1.1915   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498    1.7907    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.0808    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1774   -2.7997    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -2.9504    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    1.2296   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9120    2.2432   -0.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7997    1.1835    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4047   -0.9405    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879   -1.9514    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438   -1.8691   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.5960   -0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192    1.7324   -0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.8311    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4839    1.5811    1.0035 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