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
4.6774 -0.0168 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8819 1.0951 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5125 0.9397 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8711 -0.2701 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7131 -1.3642 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0860 -1.2552 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4277 -0.4534 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4332 0.5259 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8604 0.3154 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7371 1.3933 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1023 1.2223 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6666 -0.0290 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8393 -1.1140 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4776 -0.9057 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 0.0879 -0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3716 2.0523 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 1.8156 0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2511 -2.3477 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7074 -2.1287 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0498 -1.4495 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0987 1.5563 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3480 2.3888 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7686 2.0734 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7355 -0.1956 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2536 -2.1283 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8885 -1.8078 -0.2222 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