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
4.6398 -0.1129 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7529 0.7213 -1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3789 0.6733 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8999 -0.2346 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8087 -1.0760 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 -1.0404 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4896 -0.3827 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4605 0.3613 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 0.2524 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8085 1.0957 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1541 1.0186 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6592 0.1064 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7654 -0.7291 1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3924 -0.6528 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7071 -0.0465 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1016 1.4488 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7281 1.3539 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4241 -1.8074 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -1.7216 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1689 -1.1312 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1796 1.1316 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4163 1.8229 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8463 1.6942 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7349 0.0531 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1084 -1.4650 1.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7101 -1.3333 1.4556 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