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
-4.6149 0.7471 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6177 1.6380 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2779 1.2736 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8940 0.0058 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 -0.8946 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2266 -0.5291 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4876 -0.3985 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4992 0.3958 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -0.0232 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8891 0.8983 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2162 0.5458 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6332 -0.7269 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6585 -1.6371 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3126 -1.2839 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6721 1.0295 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9225 2.6398 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 2.0437 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6342 -1.9016 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0179 -1.2415 -0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3186 -1.4361 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2968 1.4135 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6474 1.9123 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0154 1.2462 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6674 -1.0308 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8789 -2.6692 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5465 -2.0171 -0.4058 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