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
4.6759 -0.0585 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0716 -1.2000 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 -1.3139 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8579 -0.2906 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 0.8411 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8634 0.9617 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4172 -0.4687 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4272 0.4358 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 0.2814 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5125 -0.8404 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8998 -0.9813 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6484 0.0683 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0610 1.2246 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6834 1.3159 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 0.0664 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7194 -2.0140 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2425 -2.2092 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9144 1.6823 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2805 1.8723 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0293 -1.4086 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0126 1.3827 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -1.6829 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3453 -1.9112 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7296 -0.0117 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6754 2.0438 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2086 2.2148 -1.0498 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