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
4.6817 -0.2114 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9240 0.9127 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5287 0.8195 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 -0.3588 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6526 -1.4962 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0159 -1.4047 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 -0.5048 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4074 0.4986 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 0.3623 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6594 1.4993 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0269 1.4222 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6656 0.2135 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9054 -0.9139 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5077 -0.8310 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7772 -0.1725 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4055 1.8699 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 1.7343 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1256 -2.4519 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6214 -2.2918 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -1.4926 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 1.5020 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 2.4567 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6466 2.3169 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7540 0.1229 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4149 -1.8689 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9482 -1.7320 0.2672 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