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
3.7682 -0.1292 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0400 0.5551 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 0.4264 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9891 -0.3821 -1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8160 -1.0878 -2.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1635 -0.9558 -2.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4115 -0.6537 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 -0.4691 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6907 0.0567 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9973 0.5713 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3942 0.9583 2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5042 0.8427 3.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2357 0.3583 2.9224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8824 -0.0186 1.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8512 -0.0155 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4867 1.2092 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0697 1.0173 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3246 -1.7404 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 -1.4868 -3.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7289 -1.1258 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3999 -0.8904 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6739 0.6581 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3938 1.3388 2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 1.1528 4.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5046 0.2453 3.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1123 -0.4351 1.5209 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