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
-4.6127 -0.1533 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8556 0.9299 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4633 0.8098 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8325 -0.3702 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6344 -1.4793 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9959 -1.3332 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 -0.5195 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4107 0.4673 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8593 0.3295 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6062 1.4602 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9797 1.3861 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6024 0.2014 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8547 -0.9104 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4600 -0.8521 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7012 -0.0629 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3028 1.8861 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 1.6991 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1472 -2.4115 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5886 -2.2145 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0130 -1.4760 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 1.4465 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1233 2.4143 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6057 2.2519 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6969 0.1222 -0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3263 -1.8658 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 -1.7556 0.4829 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