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
4.5639 -0.2190 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9472 -1.1248 -1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 -1.2001 -1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8375 -0.3404 -0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4542 0.5667 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8553 0.6304 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3942 -0.4201 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 0.3636 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8223 0.3012 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5772 1.1611 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 1.1678 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5863 0.2518 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8669 -0.6004 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4795 -0.5872 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6590 -0.1713 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5599 -1.7821 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0744 -1.9219 -1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9343 1.2602 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3502 1.3466 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0312 -1.1659 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0483 1.1158 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0753 1.8872 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5041 1.8499 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6632 0.2288 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3698 -1.3132 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9714 -1.2845 -1.3128 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