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
Resources
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
4.3404 -0.2586 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 -0.7255 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9549 0.1734 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5657 0.0843 -0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2662 1.1854 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0273 2.5576 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0449 3.4837 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 3.0292 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5933 1.6688 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5592 0.7522 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5805 -0.6218 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2519 -1.0001 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -2.3550 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 -3.3009 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3441 -2.8645 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 -1.5220 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7167 -0.2482 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3317 0.7531 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9342 -0.8865 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8181 -1.7819 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3385 1.2380 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 2.9009 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8387 4.5538 -0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1360 3.7600 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6043 1.2994 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9978 -2.7155 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -4.3688 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1355 -3.6200 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6642 -1.1704 0.0623 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