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
4.5869 0.4883 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1663 -0.3114 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 -0.5304 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 0.0491 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3213 0.8411 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6701 1.0542 -1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 -0.2098 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 0.2694 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8851 -0.0156 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2651 -0.8150 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6216 -1.0825 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5691 -0.5321 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2037 0.2845 -0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8611 0.5258 -1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6546 0.6711 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8949 -0.7705 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4908 -1.1751 1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6079 1.3211 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9597 1.6950 -2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -0.8636 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 0.9198 -1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5834 -1.2853 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9102 -1.7087 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6146 -0.7168 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9500 0.7289 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 1.1686 -2.0319 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