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
Resources
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
4.5791 0.6867 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7583 0.6895 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2929 0.9206 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4058 0.0360 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0237 -0.0521 -0.2209 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8351 0.8252 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6856 2.0567 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8019 2.7349 1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0381 2.1550 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2063 0.9413 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1110 0.2562 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0198 -0.9642 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 -1.1464 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3049 -2.3072 -1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2156 -3.2802 -1.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5604 -3.0653 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9665 -1.9134 -0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5363 1.1792 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0269 1.2725 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7264 -0.3636 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1284 1.4879 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8893 -0.2974 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0983 1.8298 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8964 -0.8555 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2792 2.4848 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6330 3.7004 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9007 2.6810 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1701 0.4535 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7411 -2.4584 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9241 -4.1972 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3209 -3.7895 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9949 -1.7010 -0.4675 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