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
-0.4753 0.5666 -4.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0156 1.6698 -3.9713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1927 1.6226 -2.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 0.5001 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5915 -0.5986 -2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7664 -0.5430 -3.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1143 0.5363 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1207 -0.4417 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0963 -0.4035 1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5828 0.6723 2.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7815 0.6837 3.9004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4767 -0.4440 4.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 -1.5554 3.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1988 -1.5313 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 0.6046 -5.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 2.5649 -4.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5862 2.5258 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8491 -1.5270 -1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -1.4252 -4.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5065 1.4549 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 -1.3698 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8292 1.5713 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1672 1.5616 4.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6244 -0.4596 5.6856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 -2.4266 4.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 -2.4086 2.1343 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