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
-4.6543 -0.4034 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1971 0.8911 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8472 1.1469 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 0.1563 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3400 -1.1323 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7121 -1.4044 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4710 0.4483 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 -0.4553 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8835 -0.1174 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3976 1.1452 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7564 1.4513 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6298 0.3893 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1795 -0.9111 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8345 -1.1510 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7141 -0.6005 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9443 1.6720 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5236 2.1707 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7000 -1.9973 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0642 -2.4185 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1881 1.5100 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2125 -1.4993 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 1.9934 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 2.4711 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6960 0.5642 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8977 -1.7449 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4891 -2.1743 -0.0359 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