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
4.6001 -0.5966 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9320 0.5629 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 0.6101 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 -0.4929 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -1.6409 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9164 -1.7265 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3780 -0.5176 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 0.5273 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8064 0.5036 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5255 -0.5916 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9203 -0.5354 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6361 0.5952 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8977 1.6787 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5369 1.6449 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6873 -0.6579 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4392 1.4562 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0237 1.5325 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9705 -2.5018 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4073 -2.6406 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1066 -1.4357 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0891 1.4551 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0178 -1.5180 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 -1.4407 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7200 0.6133 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4424 2.5932 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9581 2.5231 0.5960 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