9-benzylcarbazole-3-carboxylic acid

C20H15NO2 — CID 15442756

IUPAC9-benzylcarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(23)15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyGKXUSSZXCAMJNF-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.54
Rot. Bonds3

About 9-benzylcarbazole-3-carboxylic acid

9-benzylcarbazole-3-carboxylic acid (PubChem CID 15442756) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 9-benzylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-benzylcarbazole-3-carboxylic acid
PubChem CID15442756
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name9-benzylcarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C20H15NO2/c22-20(23)15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)
InChIKeyGKXUSSZXCAMJNF-UHFFFAOYSA-N
XLogP4.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzylcarbazole-3-carboxylic acid?
The IUPAC name of 9-benzylcarbazole-3-carboxylic acid (CID 15442756) is 9-benzylcarbazole-3-carboxylic acid.
What is the SMILES notation for 9-benzylcarbazole-3-carboxylic acid?
The canonical SMILES for 9-benzylcarbazole-3-carboxylic acid is O=C(O)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzylcarbazole-3-carboxylic acid?
The InChIKey is GKXUSSZXCAMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20(23)15-10-11-19-17(12-15)16-8-4-5-9-18(16)21(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23).
What are the key properties of 9-benzylcarbazole-3-carboxylic acid?
9-benzylcarbazole-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylcarbazole-3-carboxylic acid is sourced from PubChem (CID 15442756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).