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
-4.6715 0.0907 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8853 1.0875 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 0.9268 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8629 -0.2061 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7030 -1.1949 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 -1.0591 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4279 -0.4339 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.4360 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 0.2225 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7078 1.2024 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0778 1.0808 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6427 -0.0937 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8674 -1.0986 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4830 -0.9202 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7422 0.1866 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2988 2.0103 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8756 1.7114 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2511 -2.1040 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6900 -1.8644 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 -1.3677 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 1.3712 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2311 2.1175 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7016 1.8600 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7254 -0.2491 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3504 -1.9934 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 -1.7186 0.6056 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