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
0.1181 2.2345 -0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0582 1.0086 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3088 0.2951 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3655 -0.7159 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5426 -1.4052 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7092 -1.0911 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6779 -0.0893 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 0.5897 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 0.4013 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3695 1.1593 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6433 0.5984 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8189 -0.7625 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7030 -1.5228 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4446 -0.9670 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7909 2.7584 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0566 2.7225 -0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 -0.9709 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -2.2060 1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6149 -1.6478 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5661 0.1928 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4635 1.3819 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 2.2291 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5050 1.2160 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8039 -1.2110 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8532 -2.6015 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5852 -1.5969 -0.4973 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