9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole

C21H16F3NO — CID 86212202

IUPAC9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole
SMILESCOc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2Cc1ccccc1
InChIInChI=1S/C21H16F3NO/c1-26-16-8-10-19-18(12-16)17-9-7-15(21(22,23)24)11-20(17)25(19)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyORTOIAXUSCEFPT-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.87
Rot. Bonds3

About 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole

9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole (PubChem CID 86212202) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole
PubChem CID86212202
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole
SMILESCOc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2Cc1ccccc1
InChIInChI=1S/C21H16F3NO/c1-26-16-8-10-19-18(12-16)17-9-7-15(21(22,23)24)11-20(17)25(19)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyORTOIAXUSCEFPT-UHFFFAOYSA-N
XLogP5.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole?
The IUPAC name of 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole (CID 86212202) is 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole?
The canonical SMILES for 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole is COc1ccc2c(c1)c1ccc(C(F)(F)F)cc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole?
The InChIKey is ORTOIAXUSCEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO/c1-26-16-8-10-19-18(12-16)17-9-7-15(21(22,23)24)11-20(17)25(19)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole?
9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole has a molecular weight of 355.36 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-methoxy-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 86212202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).