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
-4.6423 -0.1404 0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9911 -0.7829 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6215 -0.8159 1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8601 -0.1967 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 0.4424 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9046 0.4822 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3818 -0.2527 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4190 0.3048 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 0.2106 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 0.8096 -1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0327 0.7721 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6205 0.1103 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 -0.4943 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4479 -0.4364 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7218 -0.0980 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6199 -1.2621 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 -1.3296 2.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9298 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3541 1.0027 -1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 -0.7786 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0059 0.8459 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2009 1.3376 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6801 1.2303 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6979 0.0423 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3047 -1.0049 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9162 -0.9282 1.6511 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