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
4.6410 -0.3657 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9825 -0.2447 -1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6025 -0.1282 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -0.1293 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5073 -0.2495 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8991 -0.3683 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 -0.0052 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.0029 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8299 0.1278 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.1310 1.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9963 0.2464 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6338 0.3663 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8752 0.3668 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4804 0.2474 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7285 -0.4566 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5869 -0.2453 -2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -0.0367 -2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.2552 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3774 -0.4620 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 0.0865 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0063 -0.0855 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1700 0.0390 2.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5599 0.2423 2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7211 0.4585 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3599 0.4596 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9677 0.2578 -1.6698 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