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
-4.6227 -0.0648 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8367 1.0400 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4578 0.8604 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8714 -0.3435 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 -1.4358 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0620 -1.3016 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4215 -0.5403 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3902 0.4509 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8582 0.2930 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4858 -0.8888 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8717 -0.9773 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6374 0.1386 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0429 1.3445 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6745 1.4081 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6876 0.0089 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3076 1.9803 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8612 1.7385 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2691 -2.3842 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7124 -2.1595 -0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0337 -1.5171 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0250 1.4359 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -1.7813 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3483 -1.9332 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7258 0.0755 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6932 2.1937 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2116 2.3592 0.3023 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