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
-4.6215 0.3077 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7358 1.2689 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3586 1.0369 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8624 -0.1669 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7794 -1.1095 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1408 -0.9031 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4254 -0.4143 0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 0.4520 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8828 0.1445 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 1.1334 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1250 0.9141 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5818 -0.3129 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7393 -1.3068 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3775 -1.0673 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6957 0.5368 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1455 2.2166 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7660 1.8623 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3849 -2.0788 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8485 -1.6653 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1402 -1.4097 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1666 1.4258 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4164 2.0932 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8425 1.6821 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6594 -0.4945 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1434 -2.2658 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7296 -1.8793 0.8227 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