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
4.6507 -0.1701 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1281 1.0621 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7571 1.1819 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 0.1551 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4194 -1.0707 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.2000 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4724 0.4065 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4725 -0.4402 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8931 -0.2006 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4150 1.0234 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8051 1.2348 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6351 0.2058 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1540 -1.0383 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7892 -1.1977 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7379 -0.3131 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7905 1.8754 -0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3711 2.1763 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7960 -1.9169 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2172 -2.1640 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1402 1.4162 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1393 -1.4469 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 1.8456 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1561 2.2254 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6997 0.3879 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8281 -1.8576 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3928 -2.1804 0.7326 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