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
-0.0597 -1.5570 -1.8526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0061 -0.7015 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2552 -0.2889 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4240 0.9471 0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5896 1.3445 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6613 0.4826 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 -0.7583 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3502 -1.1582 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2490 -0.1653 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3357 -0.0807 -1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5396 0.4012 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 0.8078 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6553 0.7280 1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4330 0.2413 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9868 -1.9467 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8699 -1.8651 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6241 1.6759 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 2.3032 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5977 0.7475 1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3418 -1.4570 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2727 -2.1340 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2413 -0.3824 -2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3665 0.4520 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 1.1865 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7196 1.0267 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5799 0.1507 1.6215 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