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
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
-0.0703 -2.4095 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0348 -1.0965 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2259 -0.3917 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4225 0.8809 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6255 1.5683 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6769 0.9643 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5182 -0.3171 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3151 -0.9738 -0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2767 -0.3614 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3674 -0.8881 0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5561 -0.1813 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6232 1.0462 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 1.5923 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 0.8638 -0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 -2.9406 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8461 -2.9604 -0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6576 1.4063 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7522 2.5692 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6305 1.4698 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3377 -0.8253 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2115 -1.9737 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 -1.8480 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3755 -0.6284 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5584 1.5835 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6280 2.5571 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5447 1.2939 -1.0653 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