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
4.6558 -0.0992 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1151 1.1362 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7378 1.2725 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8706 0.2170 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 -1.0262 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 -1.1696 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4211 0.4400 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4538 -0.5200 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8811 -0.2776 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7863 -1.3346 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1414 -1.0986 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6680 0.1600 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 1.1866 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3836 0.9873 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7484 -0.2313 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7672 2.0080 -0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 2.2886 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -1.9166 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2683 -2.1506 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 1.4750 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -1.5417 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 -2.3310 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8586 -1.9214 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7207 0.3843 -0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1439 2.1898 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7926 1.8732 -0.4162 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