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
-4.6544 -0.0788 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0430 1.0453 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6851 1.1916 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 0.2187 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 -0.8939 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8738 -1.0648 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 0.4192 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4311 -0.4419 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8538 -0.2267 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -1.1984 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0603 -1.0406 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6461 0.0981 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8644 1.0662 0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4728 0.8855 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7209 -0.1952 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6597 1.8085 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 2.0756 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -1.6903 -0.6413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3212 -1.9741 -0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0342 1.3437 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 -1.3769 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2233 -2.0970 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7066 -1.7803 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7291 0.2517 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2946 1.9834 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 1.6713 0.6439 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