2-(4-phenylphenyl)-1H-indole-7-carboxylic acid

C21H15NO2 — CID 46946987

IUPAC2-(4-phenylphenyl)-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12
InChIInChI=1S/C21H15NO2/c23-21(24)18-8-4-7-17-13-19(22-20(17)18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,22H,(H,23,24)
InChIKeyGNYZNXGNZXSKNH-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.20
Rot. Bonds3

About 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid

2-(4-phenylphenyl)-1H-indole-7-carboxylic acid (PubChem CID 46946987) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1H-indole-7-carboxylic acid
PubChem CID46946987
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name2-(4-phenylphenyl)-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12
InChIInChI=1S/C21H15NO2/c23-21(24)18-8-4-7-17-13-19(22-20(17)18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,22H,(H,23,24)
InChIKeyGNYZNXGNZXSKNH-UHFFFAOYSA-N
XLogP5.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid?
The IUPAC name of 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid (CID 46946987) is 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid.
What is the SMILES notation for 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid?
The canonical SMILES for 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid is O=C(O)c1cccc2cc(-c3ccc(-c4ccccc4)cc3)[nH]c12.
What is the InChIKey of 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid?
The InChIKey is GNYZNXGNZXSKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21(24)18-8-4-7-17-13-19(22-20(17)18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,22H,(H,23,24).
What are the key properties of 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid?
2-(4-phenylphenyl)-1H-indole-7-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1H-indole-7-carboxylic acid is sourced from PubChem (CID 46946987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).