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
-4.6060 0.3273 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9464 1.5275 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 1.6065 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8651 0.4163 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4982 -0.7822 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8804 -0.8074 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 0.4913 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3708 -0.5545 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 -0.4116 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5784 -1.5837 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9512 -1.5036 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6257 -0.3102 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8962 0.8510 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5066 0.7578 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6956 0.2906 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5210 2.4577 0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0807 2.5463 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9880 -1.7226 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3792 -1.7765 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0266 1.4969 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0528 -1.5336 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 -2.5537 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5286 -2.4173 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7149 -0.2976 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4038 1.8020 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9801 1.6833 0.1577 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