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
4.1586 -1.2966 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6398 -1.3576 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -0.2699 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5576 -0.0551 -0.0881 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0080 1.1950 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5506 2.4645 -0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2162 3.5988 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 3.4929 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1639 2.2579 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3635 1.1359 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6471 -0.2049 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4715 -0.9258 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5509 -2.2932 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 -2.9555 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9509 -2.2284 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8494 -0.8563 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5619 -2.1765 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5714 -1.1900 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4386 -0.3938 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 -2.3312 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5358 0.6932 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6372 2.5803 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 4.5701 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 4.3597 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2227 2.1588 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3304 -2.8950 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7874 -4.0367 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 -2.7702 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7676 -0.2705 0.1208 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