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
-4.6856 -0.2854 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8922 -0.1318 1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4981 -0.0617 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8626 -0.1407 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6866 -0.2967 -1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0566 -0.3654 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.0721 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4425 0.0718 0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8864 0.1445 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6885 0.2993 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0495 0.3638 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6664 0.2818 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8422 0.1283 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4531 0.0593 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7585 -0.3368 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3193 -0.0611 2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 0.0596 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1962 -0.3605 -2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6851 -0.4866 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0290 -0.1450 -1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0512 0.1460 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2340 0.3682 2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7118 0.4866 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7399 0.3333 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3146 0.0630 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9132 -0.0617 -1.8445 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