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
0.0484 -0.4373 -2.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0051 -0.1826 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 0.0484 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 0.5762 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5813 0.7827 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7666 0.4667 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 -0.0564 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4644 -0.2669 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 -0.1439 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 0.5843 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7151 0.5818 1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7875 -0.1391 1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6098 -0.8679 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3777 -0.8613 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9960 -0.4697 -2.8405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8703 -0.6152 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2843 0.8586 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4244 1.1943 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7278 0.6210 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7963 -0.3188 2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -0.6985 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6603 1.1835 1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8276 1.1622 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7317 -0.1232 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4489 -1.4348 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2518 -1.4440 -1.7069 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