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
-0.0007 -2.2833 -0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0185 -1.0041 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2831 -0.3414 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 0.7474 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 1.3784 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7856 0.9214 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6470 -0.1593 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3937 -0.7697 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2934 -0.3237 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4508 1.0502 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6779 1.6619 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7786 0.9479 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6532 -0.4128 0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4095 -1.0222 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9506 -2.8095 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 -2.8263 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 1.1312 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 2.2366 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7739 1.3746 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4870 -0.5498 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3481 -1.6168 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6178 1.6628 -0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7579 2.7452 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7526 1.3866 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4993 -1.0354 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3482 -2.0898 0.4403 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