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
-4.6248 -0.4534 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9431 0.5348 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5539 0.5233 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8028 -0.4275 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 -1.4292 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8911 -1.4437 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3504 -0.4972 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3889 0.3971 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 0.4322 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5109 1.4519 0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8855 1.4712 1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5987 0.4913 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9502 -0.5187 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5642 -0.5384 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7112 -0.4885 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5033 1.2977 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0426 1.3225 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9691 -2.1861 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4737 -2.2050 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 -1.2959 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1175 1.2165 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9079 2.2102 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3986 2.2547 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6931 0.5134 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5026 -1.2844 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1095 -1.3486 -0.8835 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