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
-4.5775 -0.0263 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1147 1.2232 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7371 1.3365 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 0.2731 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3818 -0.9396 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7518 -1.0989 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4469 0.4529 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4273 -0.5197 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8409 -0.2628 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7527 -1.3135 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.1698 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6307 0.0413 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7588 1.0871 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3876 0.9380 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6394 -0.1517 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7900 2.0575 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3384 2.3119 0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 -1.8173 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1559 -2.0557 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1436 1.4597 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 -1.5069 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3460 -2.2566 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7553 -2.0402 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7000 0.1471 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1694 2.0399 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 1.7911 0.6208 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