6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid

C21H11F3N2O2 — CID 162680923

IUPAC6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
SMILESN#Cc1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H11F3N2O2/c22-21(23,24)14-3-5-15(6-4-14)26-18-7-1-12(11-25)9-16(18)17-10-13(20(27)28)2-8-19(17)26/h1-10H,(H,27,28)
InChIKeyMZZOCPDARCNANG-UHFFFAOYSA-N
MW380.33 g/mol
LogP5.37
Rot. Bonds2

About 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid

6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid (PubChem CID 162680923) has the molecular formula C21H11F3N2O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
PubChem CID162680923
Molecular FormulaC21H11F3N2O2
Molecular Weight380.33 g/mol
Exact Mass380.08
IUPAC Name6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
SMILESN#Cc1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H11F3N2O2/c22-21(23,24)14-3-5-15(6-4-14)26-18-7-1-12(11-25)9-16(18)17-10-13(20(27)28)2-8-19(17)26/h1-10H,(H,27,28)
InChIKeyMZZOCPDARCNANG-UHFFFAOYSA-N
XLogP5.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680935
2-amino-3-(methyliminomethyl)-1-[4-(trifluoromethyl)phenyl]indole-5-carboxylic acid
CID 157037930
1-propan-2-yl-3-(trifluoromethyl)indazole-5-carbonitrile;1-propan-2-yl-3-(trifluoromethyl)indazole-5-carboxylic acid
CID 175374847
dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate
CID 146674997
9-[6-(3,6-dicyanocarbazol-9-yl)-10-[4-(1,1-difluoroethyl)phenyl]-9-[4-(trifluoromethyl)phenyl]anthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064680
4-[2-deuterio-4-(trifluoromethyl)phenyl]-2-methylpyrazolo[4,3-b]indole-7-carbonitrile
CID 175991073
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910
N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037390
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
[9-[3,5-bis(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane;4-[3,6-bis(triphenylsilyl)carbazol-9-yl]benzonitrile;triphenyl-[9-[3-(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane;triphenyl-[9-[4-(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane
CID 159403296
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037796

Frequently Asked Questions

What is the IUPAC name of 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The IUPAC name of 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid (CID 162680923) is 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid.
What is the SMILES notation for 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The canonical SMILES for 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid is N#Cc1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
The InChIKey is MZZOCPDARCNANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F3N2O2/c22-21(23,24)14-3-5-15(6-4-14)26-18-7-1-12(11-25)9-16(18)17-10-13(20(27)28)2-8-19(17)26/h1-10H,(H,27,28).
What are the key properties of 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid?
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid has a molecular weight of 380.33 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid is sourced from PubChem (CID 162680923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).