2,3-diphenyl-1H-indole-7-carboxylate

C21H14NO2- — CID 5003497

IUPAC2,3-diphenyl-1H-indole-7-carboxylate
SMILESO=C([O-])c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)/p-1
InChIKeyOLUDUXWVPIEHDA-UHFFFAOYSA-M
MW312.35 g/mol
LogP3.87
Rot. Bonds3

About 2,3-diphenyl-1H-indole-7-carboxylate

2,3-diphenyl-1H-indole-7-carboxylate (PubChem CID 5003497) has the molecular formula C21H14NO2- and a molecular weight of 312.35 g/mol. Its IUPAC name is 2,3-diphenyl-1H-indole-7-carboxylate.

Molecular Properties

Compound Name2,3-diphenyl-1H-indole-7-carboxylate
PubChem CID5003497
Molecular FormulaC21H14NO2-
Molecular Weight312.35 g/mol
Exact Mass312.10
IUPAC Name2,3-diphenyl-1H-indole-7-carboxylate
SMILESO=C([O-])c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)/p-1
InChIKeyOLUDUXWVPIEHDA-UHFFFAOYSA-M
XLogP3.87
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1H-indole-7-carboxylate?
The IUPAC name of 2,3-diphenyl-1H-indole-7-carboxylate (CID 5003497) is 2,3-diphenyl-1H-indole-7-carboxylate.
What is the SMILES notation for 2,3-diphenyl-1H-indole-7-carboxylate?
The canonical SMILES for 2,3-diphenyl-1H-indole-7-carboxylate is O=C([O-])c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of 2,3-diphenyl-1H-indole-7-carboxylate?
The InChIKey is OLUDUXWVPIEHDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)/p-1.
What are the key properties of 2,3-diphenyl-1H-indole-7-carboxylate?
2,3-diphenyl-1H-indole-7-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1H-indole-7-carboxylate is sourced from PubChem (CID 5003497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).