7-tert-butyl-9H-carbazole-3-carboxylic acid

C17H17NO2 — CID 46855215

IUPAC7-tert-butyl-9H-carbazole-3-carboxylic acid
SMILESCC(C)(C)c1ccc2c(c1)[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C17H17NO2/c1-17(2,3)11-5-6-12-13-8-10(16(19)20)4-7-14(13)18-15(12)9-11/h4-9,18H,1-3H3,(H,19,20)
InChIKeyDIDFDNKTXWWCAJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.32
Rot. Bonds1

About 7-tert-butyl-9H-carbazole-3-carboxylic acid

7-tert-butyl-9H-carbazole-3-carboxylic acid (PubChem CID 46855215) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-tert-butyl-9H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-9H-carbazole-3-carboxylic acid
PubChem CID46855215
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name7-tert-butyl-9H-carbazole-3-carboxylic acid
SMILESCC(C)(C)c1ccc2c(c1)[nH]c1ccc(C(=O)O)cc12
InChIInChI=1S/C17H17NO2/c1-17(2,3)11-5-6-12-13-8-10(16(19)20)4-7-14(13)18-15(12)9-11/h4-9,18H,1-3H3,(H,19,20)
InChIKeyDIDFDNKTXWWCAJ-UHFFFAOYSA-N
XLogP4.32
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-9H-carbazole-3-carboxylic acid?
The IUPAC name of 7-tert-butyl-9H-carbazole-3-carboxylic acid (CID 46855215) is 7-tert-butyl-9H-carbazole-3-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-9H-carbazole-3-carboxylic acid?
The canonical SMILES for 7-tert-butyl-9H-carbazole-3-carboxylic acid is CC(C)(C)c1ccc2c(c1)[nH]c1ccc(C(=O)O)cc12.
What is the InChIKey of 7-tert-butyl-9H-carbazole-3-carboxylic acid?
The InChIKey is DIDFDNKTXWWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2,3)11-5-6-12-13-8-10(16(19)20)4-7-14(13)18-15(12)9-11/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of 7-tert-butyl-9H-carbazole-3-carboxylic acid?
7-tert-butyl-9H-carbazole-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 4.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-9H-carbazole-3-carboxylic acid is sourced from PubChem (CID 46855215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).