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
-4.6390 -0.4565 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9275 -1.6423 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5621 -1.6588 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8430 -0.4709 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5447 0.7023 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9062 0.6983 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.5210 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 0.5450 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8326 0.4945 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5880 1.6739 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9498 1.6545 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6191 0.4452 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9012 -0.7121 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -0.6776 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7081 -0.4637 0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4526 -2.5986 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9855 -2.5764 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 1.6523 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4449 1.6291 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0611 -1.5080 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1039 1.5285 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0413 2.5971 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5572 2.5480 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7081 0.4002 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3967 -1.6661 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9852 -1.6169 -0.1411 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