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
4.6430 -0.3422 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0724 -0.1999 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7164 -0.0901 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -0.1132 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4629 -0.2574 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8502 -0.3731 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4242 0.0104 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -0.0071 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 0.1174 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4850 0.2610 -0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8734 0.3731 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6784 0.3436 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0593 0.1987 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6897 0.0880 1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7118 -0.4328 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 -0.1825 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2999 0.0203 -2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 -0.2859 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2528 -0.4847 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0942 0.1190 -1.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0317 -0.1165 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 0.2867 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3239 0.4868 -2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7675 0.4319 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7060 0.1756 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2191 -0.0270 2.3789 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