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
4.6583 -0.2072 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 -1.2559 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4214 -1.0352 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8723 0.2016 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7704 1.2231 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1413 1.0451 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 0.4604 -0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4701 -0.4441 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9011 -0.1900 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7982 -1.2381 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1588 -1.0902 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6398 0.1838 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7955 1.2262 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4115 1.0587 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7384 -0.3393 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1752 -2.2341 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8040 -1.8743 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3813 2.2141 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8154 1.8885 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1411 1.4866 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1453 -1.4546 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3892 -2.2235 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8373 -1.9054 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7053 0.3553 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1444 2.2417 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 1.9067 -0.4665 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