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
4.5456 0.7117 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8677 1.7886 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5079 1.7279 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7820 0.5802 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 -0.4828 -0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8593 -0.4283 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3430 0.5521 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3531 -0.5064 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8007 -0.5467 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 -1.7155 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 -1.8151 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5655 -0.7564 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8801 0.3801 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 0.5082 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6297 0.8016 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3767 2.7038 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9712 2.5678 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -1.4095 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 -1.2582 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1038 1.4568 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1124 -1.4014 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9491 -2.5506 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3578 -2.7505 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6456 -0.8163 0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3784 1.2422 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 1.4167 0.7887 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