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
-4.6259 0.3209 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8523 -0.4181 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4530 -0.4349 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 0.2931 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6267 1.0538 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9843 1.0403 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 0.3168 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4133 -0.3654 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8441 -0.3190 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6515 -1.0499 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0342 -1.0438 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5959 -0.2965 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7983 0.4196 -0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 0.4173 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7094 0.3230 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2527 -1.0182 1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8685 -1.0226 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1343 1.6333 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5731 1.6442 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 0.9279 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 -0.9713 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 -1.6456 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6816 -1.6066 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6744 -0.2555 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1884 1.0335 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 1.0234 -1.3460 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