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
4.5883 -0.0229 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7262 0.9757 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 0.8148 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8695 -0.3101 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7947 -1.2809 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1406 -1.1747 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.4829 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 0.4197 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 0.2497 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7554 1.2520 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1090 1.1965 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6250 0.0670 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7675 -0.9427 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -0.8595 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6443 0.1344 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0688 1.8850 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7311 1.6489 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 -2.1892 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8473 -1.9592 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1774 -1.4134 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1502 1.3327 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 2.1476 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7451 2.0148 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6799 0.0049 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1572 -1.8327 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 -1.6755 -0.9670 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