Monomers
9-But-1-enylcarbazole
Identifiers
IUPAC name
9-but-1-enylcarbazole
InchI
InChI=1S/C16H15N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-12H,2H2,1H3
InchI Key
IUHZKDDCUOBXCA-UHFFFAOYSA-N
SMILES
CCC=Cn1c2ccccc2c2c1cccc2
Canonical SMILES
CCC=CN1C2=CC=CC=C2C3=CC=CC=C31
Isomeric SMILES
CCC=CN1C2=CC=CC=C2C3=CC=CC=C31
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H15N
Heavy Atom Count
17
Molecular Weight
221.303
Exact Molecular Weight
221.1204
Valence Electrons
84
Radical Electrons
0
tPSA
4.93
MolLogP
4.6752
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
32 34 0 0 0 0 0 0 0 0999 V2000
4.2248 0.4516 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1479 -0.3769 -0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4168 -1.2511 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1993 -1.3077 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0343 -0.5793 0.3496 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -1.2009 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 -2.5080 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9279 -2.8840 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8772 -1.9108 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4927 -0.6038 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -0.2303 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5479 0.9918 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1779 0.7190 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6350 1.8382 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1514 3.1116 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 3.3228 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 2.2657 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5132 1.2680 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1013 -0.2138 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7785 0.8676 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 0.2549 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7124 -1.1055 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0941 -2.0545 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0454 -2.1776 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -3.2620 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2129 -3.9309 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9361 -2.1451 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2114 0.1821 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6966 1.7541 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8225 3.9523 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5907 4.3122 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1069 2.4501 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
13 5 1 0
11 6 1 0
17 12 1 0
1 18 1 0
1 19 1 0
1 20 1 0
2 21 1 0
2 22 1 0
3 23 1 0
4 24 1 0
7 25 1 0
8 26 1 0
9 27 1 0
10 28 1 0
14 29 1 0
15 30 1 0
16 31 1 0
17 32 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers