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
4.5731 -0.4153 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8911 0.7408 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 0.7029 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8201 -0.4513 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5167 -1.6142 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8876 -1.5787 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 -0.5189 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3680 0.5251 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 0.4592 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5421 1.5840 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9073 1.5654 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5695 0.4102 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8616 -0.7173 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4699 -0.6787 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6709 -0.4094 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4366 1.6399 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9852 1.6472 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9821 -2.5440 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 -2.4945 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1057 -1.4607 -0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0743 1.4960 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0538 2.5353 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4669 2.4643 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6490 0.3944 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3589 -1.6473 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9815 -1.6347 -0.5142 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