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
4.6460 -0.0356 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0738 -1.2787 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7072 -1.3915 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8639 -0.2799 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4532 0.9418 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8470 1.0759 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 -0.5003 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4322 0.4801 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8674 0.2907 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7268 1.3844 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0992 1.2696 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6477 0.0136 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8292 -1.0825 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4272 -0.9311 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7147 0.0960 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7397 -2.1202 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2475 -2.3635 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 1.8271 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2946 2.0554 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0412 -1.5050 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 1.5026 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2439 2.3484 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7337 2.1617 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7219 -0.0781 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2867 -2.0427 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8481 -1.8381 0.3093 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