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
-4.6490 0.0998 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8024 1.1645 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4059 1.0232 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8818 -0.2172 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7639 -1.3052 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1274 -1.1617 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 -0.4691 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.4676 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8653 0.2134 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4238 -1.0178 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8152 -1.1790 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6699 -0.1076 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1007 1.1327 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7441 1.3017 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7169 0.2705 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1607 2.1937 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7788 1.8926 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -2.2659 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8258 -1.9712 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0873 -1.4964 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0858 1.4976 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 -1.8922 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2185 -2.1789 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7364 -0.2522 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8012 1.9770 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3307 2.2803 -0.2190 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