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
-4.6893 0.0226 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1093 -0.2640 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7362 -0.2920 1.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8808 -0.0452 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 0.2357 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8631 0.2725 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4418 -0.1026 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4590 0.1114 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8877 0.0494 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 0.2936 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1484 0.2555 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6976 -0.0345 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8398 -0.2775 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4554 -0.2373 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7742 0.0547 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 -0.4550 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3178 -0.5193 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8674 0.4380 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3065 0.4996 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0954 -0.3368 1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 0.3486 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3336 0.5201 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7987 0.4556 -1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7705 -0.0526 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2529 -0.5045 2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 -0.4359 1.8423 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