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
-4.6468 -0.2006 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8730 0.7470 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4850 0.6680 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8423 -0.3389 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6556 -1.3109 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0291 -1.2286 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4105 -0.4571 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 0.4084 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8794 0.3320 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6378 1.3115 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0076 1.2733 -0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5984 0.2401 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8790 -0.7438 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4977 -0.6924 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7194 -0.1496 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2758 1.6026 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8947 1.4471 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1933 -2.1100 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6297 -2.0069 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0207 -1.3124 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0142 1.2372 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1550 2.1091 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5947 2.0584 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6855 0.1734 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3613 -1.5747 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9393 -1.4822 0.9434 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