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
-4.6244 0.3690 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1319 -0.8206 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7890 -1.0510 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8606 -0.1251 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3994 1.0592 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7715 1.3271 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4398 -0.4372 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4643 0.4013 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8913 0.1278 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7758 1.0558 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1444 0.8543 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6294 -0.3688 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7519 -1.3088 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3734 -1.0705 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7008 0.5772 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8450 -1.5412 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4011 -2.0109 1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 1.8406 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1499 2.2729 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 -1.4053 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1533 1.3689 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3917 1.9939 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8265 1.6012 -0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6897 -0.5782 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1533 -2.2568 0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 -1.8746 0.8487 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