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
4.6145 0.2593 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1929 -0.8698 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8575 -1.0766 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8844 -0.1525 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3362 0.9501 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6947 1.1763 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 -0.4401 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 0.3769 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 0.1399 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8437 1.0630 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1868 0.8838 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6502 -0.2335 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7146 -1.1600 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3539 -0.9729 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6721 0.4333 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9548 -1.5772 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5811 -1.9797 0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 1.7010 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 2.0776 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 -1.3595 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 1.3093 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5241 1.9518 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9407 1.6072 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7117 -0.3529 0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0504 -2.0446 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 -1.7103 1.1109 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