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
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
4.9194 0.8696 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7162 1.3454 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5328 0.5347 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 -0.7702 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3595 -1.4778 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 -0.9300 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0954 0.3831 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2639 1.0847 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2346 0.7194 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8607 1.8711 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2210 1.9607 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9654 0.8399 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3533 -0.3323 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -0.3748 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 -1.3584 0.4069 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -2.6926 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1206 -0.1320 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8194 1.4894 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 2.3483 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4975 -1.2285 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4020 -2.4929 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2509 2.1180 -0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 2.7704 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6910 2.8779 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0399 0.8756 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9719 -1.1843 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 -2.6902 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8229 -3.0236 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 -3.4007 -0.0204 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