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
4.6494 0.2214 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9095 -0.6694 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 -0.6205 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8487 0.3169 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6203 1.2142 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9992 1.1841 -1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 0.4273 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3722 -0.3852 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8322 -0.3207 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5298 0.6179 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9318 0.6592 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6738 -0.2443 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9932 -1.1870 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6157 -1.2189 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7264 0.1884 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3856 -1.4229 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9676 -1.3628 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1613 1.9973 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6041 1.8811 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0588 1.2058 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0320 -1.1871 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 1.3553 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4265 1.4111 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7522 -0.1927 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5688 -1.8989 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0717 -1.9694 1.4186 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