Monomers
Stilbene
Identifiers
IUPAC name
stilbene
InchI
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H
InchI Key
PJANXHGTPQOBST-UHFFFAOYSA-N
SMILES
c1ccc(cc1)C=Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC2=CC=CC=C2
Isomeric SMILES
C1=CC=C(C=C1)C=CC2=CC=CC=C2
Resources
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
3.857
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
-4.6537 0.4476 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9341 -0.7255 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5314 -0.7362 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8286 0.4427 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5638 1.6157 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9425 1.6376 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3499 0.4829 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3901 -0.5744 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 -0.4841 0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5335 0.7075 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 0.8035 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6297 -0.3825 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9481 -1.5882 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5876 -1.6602 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7384 0.4343 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4707 -1.6706 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0253 -1.6717 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0195 2.5570 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5294 2.5481 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 1.4678 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -1.5657 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 1.6596 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4118 1.7645 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7128 -0.3638 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5012 -2.5252 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -2.6208 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
4 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
6 1 1 0
14 9 1 0
1 15 1 0
2 16 1 0
3 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