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
-4.6025 -0.0458 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8510 0.9800 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4592 0.8580 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8455 -0.3012 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6266 -1.3379 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9913 -1.2282 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4250 -0.4884 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3621 0.4347 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8183 0.2882 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 1.3158 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9644 1.2165 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 0.0655 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8849 -0.9672 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4998 -0.8426 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6600 0.0641 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3154 1.8992 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9457 1.6931 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1144 -2.2240 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5431 -2.0521 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 -1.4269 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 1.3656 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0693 2.2281 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5286 2.0587 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6949 -0.0083 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 -1.8697 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9894 -1.6752 -0.5193 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