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
-4.5890 0.5006 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8922 -0.6744 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5036 -0.6758 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8196 0.5137 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5140 1.7042 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8774 1.6897 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3502 0.4916 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3661 -0.5851 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8192 -0.5087 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5336 -1.7100 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8938 -1.6628 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5733 -0.4777 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8686 0.6819 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4719 0.7024 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6824 0.5163 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3956 -1.6227 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9966 -1.6187 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9290 2.6184 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3905 2.6543 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0988 1.4852 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0748 -1.5658 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 -2.6602 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3927 -2.6291 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6402 -0.4793 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3925 1.6483 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9697 1.6638 -0.0526 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