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
4.6072 0.0941 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 1.0379 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4383 0.8829 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 -0.1884 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 -1.1207 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0945 -1.0084 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4083 -0.4156 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 0.4319 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8651 0.2101 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4289 -0.8656 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8171 -1.0551 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6231 -0.1170 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0865 0.9754 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7292 1.1412 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6772 0.2286 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2430 1.9148 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8103 1.6400 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2901 -1.9898 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7417 -1.7555 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0828 -1.3079 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 1.3158 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8090 -1.6203 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2063 -1.9265 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7074 -0.2337 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7361 1.7290 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2949 2.0029 1.2915 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