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
-4.6711 -0.2193 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7957 -1.2753 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4081 -1.0682 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1914 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7630 1.2499 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 1.0438 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4231 0.4254 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4823 -0.5058 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 -0.2056 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -1.2704 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 -0.9968 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6287 0.2696 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7602 1.3056 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3919 1.0617 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7343 -0.4117 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2198 -2.2615 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -1.9402 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3393 2.2480 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8105 1.8750 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 1.4564 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1422 -1.5464 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4201 -2.2761 0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8240 -1.8504 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7096 0.4605 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1078 2.3175 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7421 1.9228 -0.2463 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