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
-4.6365 -0.2231 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0133 -1.4175 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6547 -1.5145 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 -0.3769 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4648 0.8120 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8618 0.8871 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4193 -0.5141 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3844 0.4864 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 0.3645 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4777 -0.8019 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8735 -0.8764 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6464 0.2432 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0235 1.4318 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6570 1.4818 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7198 -0.1397 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6746 -2.2810 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2043 -2.4637 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8698 1.6978 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2555 1.8635 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0258 -1.5124 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 1.4647 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8951 -1.7083 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3297 -1.8261 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7439 0.1931 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 2.3106 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1556 2.4192 0.3077 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