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
3.3509 -1.1253 1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6644 0.0119 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7120 -0.0248 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4097 -1.1629 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -2.3106 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0848 -2.2896 1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3947 -1.3197 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6692 -0.7069 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4346 0.4082 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 1.0592 -1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1623 2.0658 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1883 2.4918 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3460 1.8802 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4890 0.8563 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0872 -1.0916 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 0.9776 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2093 0.8943 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9247 -3.2361 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6401 -3.1838 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6220 -2.1973 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 -1.2082 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 0.7505 -2.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8402 2.5672 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8590 3.2865 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 2.2162 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8844 0.3912 1.1311 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