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
3.8303 0.3089 1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7263 -1.0593 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6225 -1.6247 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5500 -0.8976 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6783 0.4573 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8064 1.0496 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4901 -1.5620 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7230 -1.3266 -0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6428 -0.2427 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7672 -0.1036 -1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7393 0.8327 -1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6639 1.6903 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5870 1.5961 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6122 0.6389 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7038 0.7578 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5371 -1.6751 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5280 -2.7104 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9631 1.1565 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8988 2.1405 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 -2.6029 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1948 -2.2078 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 -0.7967 -2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5898 0.8941 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4587 2.4079 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5495 2.2826 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 0.5962 1.1194 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