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
0.3479 2.3378 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1700 1.0279 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 0.5202 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 1.2708 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5171 0.8588 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8631 -0.3518 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8710 -1.1139 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5592 -0.6897 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1709 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2559 -1.1036 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3608 -1.9624 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5439 -1.5484 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6431 -0.2839 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5339 0.5593 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4498 3.0681 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3449 2.7498 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9380 2.2336 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2537 1.4912 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8972 -0.6779 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1932 -2.0630 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.3246 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3900 -1.5307 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2896 -2.9615 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3773 -2.2480 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5782 0.0293 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 1.5415 1.0206 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