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
4.6738 -0.1838 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1071 0.8422 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7463 0.9788 -0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 0.1120 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4712 -0.9029 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8428 -1.0612 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4360 0.3165 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4636 -0.4437 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9002 -0.1777 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 0.8664 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 1.1158 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6311 0.2540 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 -0.8147 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8225 -1.0127 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7485 -0.2868 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7566 1.5265 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3654 1.8071 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8220 -1.6030 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2795 -1.8705 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1360 1.1706 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1320 -1.2916 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 1.5633 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1483 1.9443 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6852 0.4359 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9151 -1.4455 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4640 -1.8392 1.3820 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