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
-4.6139 0.0600 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0579 1.3194 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7090 1.4262 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9028 0.2893 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4506 -0.9687 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8393 -1.0709 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 0.4565 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4242 -0.5272 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -0.3022 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7196 -1.3980 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 -1.2778 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6200 -0.0079 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8168 1.1107 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 0.9433 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6955 -0.0668 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7106 2.1942 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2310 2.4183 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8487 -1.8926 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2522 -2.0810 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0640 1.4683 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 -1.5699 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3029 -2.4021 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7381 -2.1700 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6985 0.1058 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2117 2.1162 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8392 1.8270 0.0142 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