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
4.6661 -0.2713 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7611 -1.3111 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3934 -1.1290 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 0.1552 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8068 1.2006 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1621 1.0112 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4594 0.4542 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -0.4943 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8783 -0.1830 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3888 1.0888 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7672 1.3309 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 0.3015 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 -0.9739 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8142 -1.2253 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7435 -0.4648 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1594 -2.3217 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7240 -1.9769 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4256 2.1935 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8508 1.8686 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 1.5044 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 -1.5226 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7209 1.9342 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1408 2.3493 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7411 0.4941 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9040 -1.7832 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4259 -2.2293 -0.0693 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