5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid

C21H14F3NO2 — CID 162680935

IUPAC5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
SMILESCc1cccc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3NO2/c1-12-3-2-4-18-19(12)16-11-13(20(26)27)5-10-17(16)25(18)15-8-6-14(7-9-15)21(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyZASZNWZPUJDMNA-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.81
Rot. Bonds2

About 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid

5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid (PubChem CID 162680935) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
PubChem CID162680935
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
SMILESCc1cccc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H14F3NO2/c1-12-3-2-4-18-19(12)16-11-13(20(26)27)5-10-17(16)25(18)15-8-6-14(7-9-15)21(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyZASZNWZPUJDMNA-UHFFFAOYSA-N
XLogP5.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923
2-amino-3-(methyliminomethyl)-1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 157037930
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037796
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 157037094
2-methyl-4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037917
(3-hydroxypyrrolidin-1-yl)-[6-methyl-9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]methanone
CID 162680943
N-(2-hydroxyethyl)-6-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxamide
CID 162680873
9-[4-(trifluoromethyl)phenyl]-3,6-ditritylcarbazole
CID 58479630
N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]indole-7-carboxamide
CID 157037746
ethyl 5-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole-8-carboxylate
CID 162680864
4-[2-deuterio-3-(trifluoromethyl)phenyl]-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 175991037

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The IUPAC name of 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid (CID 162680935) is 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid is Cc1cccc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The InChIKey is ZASZNWZPUJDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c1-12-3-2-4-18-19(12)16-11-13(20(26)27)5-10-17(16)25(18)15-8-6-14(7-9-15)21(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid has a molecular weight of 369.34 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid is sourced from PubChem (CID 162680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).