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
-4.6391 -0.3739 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2081 0.9078 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8614 1.1762 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9069 0.1612 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3704 -1.0978 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7340 -1.3817 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 0.4566 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4769 -0.4096 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8905 -0.0998 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8013 -1.1262 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1689 -0.9387 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6592 0.3355 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7792 1.3744 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 1.1437 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7003 -0.6236 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9624 1.6848 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5003 2.1886 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6925 -1.9221 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0828 -2.3857 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1681 1.4986 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -1.4555 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4676 -2.1507 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8516 -1.7846 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7306 0.4876 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1609 2.3598 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 1.9753 0.3666 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