Monomers
9-Methyl-3-vinyl-9H-carbazole
Identifiers
IUPAC name
3-ethenyl-9-methylcarbazole
InchI
InChI=1S/C15H13N/c1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2/h3-10H,1H2,2H3
InchI Key
YNTFCIUHPYUCDD-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(c1)c1ccccc1n2C
Canonical SMILES
CN1C2=C(C=C(C=C2)C=C)C3=CC=CC=C31
Isomeric SMILES
CN1C2=C(C=C(C=C2)C=C)C3=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
3.9745
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
4.2748 -1.5610 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9107 -0.2983 0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5740 0.1706 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3260 1.5119 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 2.0223 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 1.1274 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2484 -0.2295 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5323 -0.7072 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9746 -0.8276 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3061 -2.1580 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6330 -2.4977 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5955 -1.5331 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2758 -0.1944 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 0.1511 -0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2934 1.3316 -0.2945 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8978 2.6297 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2905 -1.8577 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 -2.3240 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7112 0.4603 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1281 2.2295 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8713 3.0841 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6474 -1.7598 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -2.8859 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9052 -3.5399 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6260 -1.8383 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9752 0.5948 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5287 3.0301 -1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6621 3.3367 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9859 2.5323 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 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 1 0
8 3 1 0
14 9 1 0
15 6 1 0
1 17 1 0
1 18 1 0
2 19 1 0
4 20 1 0
5 21 1 0
8 22 1 0
10 23 1 0
11 24 1 0
12 25 1 0
13 26 1 0
16 27 1 0
16 28 1 0
16 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers