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
4.6333 -0.3298 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9175 0.8378 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5273 0.7582 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8202 -0.3955 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5787 -1.5624 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9581 -1.5273 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3736 -0.5329 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3910 0.5194 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8370 0.4366 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -0.7501 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8761 -0.8167 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6541 0.3129 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9914 1.5170 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6216 1.5915 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7125 -0.2642 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4265 1.7980 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 1.6785 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1231 -2.5384 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5594 -2.4356 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 -1.5490 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0489 1.4945 0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9973 -1.7130 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3915 -1.7677 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7407 0.2732 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5580 2.4458 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0752 2.5190 0.2567 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