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
3.4936 0.0093 2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5517 0.8992 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6456 0.4707 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.7903 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6246 -1.6558 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5266 -1.2606 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7045 -1.2998 -0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4669 -1.0460 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5127 -0.0854 -1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4584 0.1422 -2.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5221 0.9733 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6893 1.6055 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7601 1.3814 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6890 0.5435 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2149 0.2998 2.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5366 1.9004 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9641 1.2500 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7126 -2.6858 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2691 -1.9662 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1479 -2.2306 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8192 -1.8018 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 -0.3486 -3.0126 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2708 1.1596 -2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5411 2.2540 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 1.8981 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0209 0.3839 1.0454 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