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
-4.6020 0.2353 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7769 1.1090 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3938 0.9068 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8903 -0.1668 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7342 -1.0689 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0757 -0.8453 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 -0.3527 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4159 0.4327 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 0.1695 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3954 -0.8885 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7655 -1.1412 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6043 -0.2585 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0812 0.8156 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7446 1.0469 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6763 0.3644 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 1.9446 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7989 1.6420 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3036 -1.8888 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7672 -1.5094 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0903 -1.2279 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0957 1.3000 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7666 -1.6098 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1688 -1.9833 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6888 -0.3994 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8048 1.4788 1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 1.8948 1.4083 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