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
3.8729 0.9460 0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7315 1.3076 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6268 0.4607 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6342 -0.7683 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 -1.1291 0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9016 -0.2860 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5159 -1.6575 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 -1.6105 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 -0.5760 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5608 0.7496 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5194 1.7083 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7145 1.3617 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9304 0.0422 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9688 -0.8952 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7204 1.6293 0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 2.2924 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.7989 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8242 -2.0972 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7940 -0.6125 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9033 -2.7616 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 -2.6658 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6544 1.0930 0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 2.7423 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4751 2.0904 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8785 -0.2267 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1337 -1.9361 -0.9755 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