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
4.6305 -0.2465 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9288 0.6296 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 0.5576 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 -0.3221 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6251 -1.1829 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9966 -1.1587 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3913 -0.4170 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3921 0.3506 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8542 0.3059 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5460 -0.5721 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9535 -0.5912 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6685 0.2795 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9798 1.1702 1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5940 1.1716 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7116 -0.1871 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4271 1.3483 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9881 1.2533 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0788 -1.8785 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5857 -1.8309 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 -1.1455 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0875 1.0898 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0030 -1.2662 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4597 -1.3076 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7531 0.2276 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5417 1.8531 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0365 1.8692 1.7403 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