Monomers
9-(1-Propenyl)carbazole
Identifiers
IUPAC name
9-prop-1-enylcarbazole
InchI
InChI=1S/C15H13N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h2-11H,1H3
InchI Key
SFQDJUABNNSJHB-UHFFFAOYSA-N
SMILES
CC=Cn1c2ccccc2c2c1cccc2
Canonical SMILES
CC=CN1C2=CC=CC=C2C3=CC=CC=C31
Isomeric SMILES
CC=CN1C2=CC=CC=C2C3=CC=CC=C31
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H13N
Heavy Atom Count
16
Molecular Weight
207.276
Exact Molecular Weight
207.1048
Valence Electrons
78
Radical Electrons
0
tPSA
4.93
MolLogP
4.2851
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
3
MOL File
RDKit 3D
29 31 0 0 0 0 0 0 0 0999 V2000
4.1432 1.1903 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 0.2764 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7795 0.7838 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5159 0.2137 -0.1593 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 0.9675 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8091 2.3360 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0245 2.9554 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 2.1110 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9768 0.7402 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7209 0.1765 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2824 -1.1100 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 -1.0588 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 -2.2527 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0252 -3.4404 -0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3226 -3.4660 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0121 -2.2728 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8958 2.2044 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0239 0.7716 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2637 1.2898 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1961 -0.7433 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7979 1.9136 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 3.0086 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1123 4.0291 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0744 2.6023 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8117 0.0960 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 -2.2698 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5516 -4.3784 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8614 -4.4018 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0783 -2.2723 0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
12 4 1 0
10 5 1 0
16 11 1 0
1 17 1 0
1 18 1 0
1 19 1 0
2 20 1 0
3 21 1 0
6 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
13 26 1 0
14 27 1 0
15 28 1 0
16 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers