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
-4.6518 0.1556 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0082 1.2380 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 1.3150 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8572 0.2982 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4599 -0.7890 -0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8539 -0.8258 -0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4111 0.4089 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4157 -0.4765 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 -0.3255 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6801 -1.3153 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -1.2259 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6293 -0.1237 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8393 0.8657 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4431 0.7496 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7323 0.1126 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6118 2.0462 0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 2.1950 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9340 -1.6312 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3672 -1.6787 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 1.2977 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0154 -1.3708 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2145 -2.1769 -1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6928 -2.0095 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7174 -0.0396 -0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2899 1.7438 0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8980 1.5620 0.6136 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