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
-4.6183 0.4052 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9440 1.5272 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5716 1.5261 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8276 0.4329 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5129 -0.6781 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9159 -0.6942 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3855 0.4573 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3873 -0.5243 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 -0.4373 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5546 -1.5370 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9372 -1.4772 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6366 -0.3543 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9155 0.7385 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.6794 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7105 0.3496 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5389 2.3649 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0440 2.4082 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0327 -1.5935 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4408 -1.5863 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0708 1.3787 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0838 -1.4577 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0809 -2.4550 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4794 -2.3516 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7157 -0.3012 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4715 1.6104 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 1.5694 0.7580 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