3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid

C24H19NO4 — CID 71281161

IUPAC3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H19NO4/c26-21(27)12-11-18-22-19(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)14-20(22)25-23(18)24(28)29/h1-10,13-14,25H,11-12H2,(H,26,27)(H,28,29)
InChIKeySSEVUBMCWYXCTC-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.22
Rot. Bonds6

About 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid

3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid (PubChem CID 71281161) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid
PubChem CID71281161
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid
SMILESO=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C24H19NO4/c26-21(27)12-11-18-22-19(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)14-20(22)25-23(18)24(28)29/h1-10,13-14,25H,11-12H2,(H,26,27)(H,28,29)
InChIKeySSEVUBMCWYXCTC-UHFFFAOYSA-N
XLogP5.22
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid (CID 71281161) is 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid is O=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid?
The InChIKey is SSEVUBMCWYXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-21(27)12-11-18-22-19(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)14-20(22)25-23(18)24(28)29/h1-10,13-14,25H,11-12H2,(H,26,27)(H,28,29).
What are the key properties of 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid?
3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 71281161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).