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
4.6008 -0.0440 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8358 0.4970 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4387 0.4485 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8274 -0.1449 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6227 -0.6821 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9984 -0.6377 1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 -0.2383 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4033 0.2472 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8450 0.1526 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6127 0.6967 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9805 0.6158 -1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6311 0.0278 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 -0.4956 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 -0.4327 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6798 -0.0018 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 0.9649 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 0.8900 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1645 -1.1562 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6151 -1.0488 1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0012 -0.7265 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0341 0.7396 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1300 1.1645 -2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6014 1.0303 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7191 -0.0249 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2875 -0.9798 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9008 -0.8614 1.2826 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