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

C21H15NO2 — CID 169084287

IUPAC7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(-c3ccccc3-c3ccccc3)c2[nH]1
InChIInChI=1S/C21H15NO2/c23-21(24)19-13-15-9-6-12-18(20(15)22-19)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-13,22H,(H,23,24)
InChIKeyMDIANEFWYPPNLI-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.20
Rot. Bonds3

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

7-(2-phenylphenyl)-1H-indole-2-carboxylic acid (PubChem CID 169084287) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
PubChem CID169084287
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(-c3ccccc3-c3ccccc3)c2[nH]1
InChIInChI=1S/C21H15NO2/c23-21(24)19-13-15-9-6-12-18(20(15)22-19)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-13,22H,(H,23,24)
InChIKeyMDIANEFWYPPNLI-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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Related Compounds

7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
CID 169084297
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
CID 171663125
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
1H-benzo[g]indole-2-carboxylic acid
CID 645288
N-carbamimidoyl-N-methyl-7-phenyl-1H-indole-2-carboxamide;hydrochloride
CID 70218074
ethyl 7-(4-chlorophenyl)-1H-indole-2-carboxylate
CID 171663092
7-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 174789761
ethane;1H-indole-2-carboxylic acid
CID 91052830
6-chloro-4-phenyl-1H-indole-2-carboxylic acid
CID 135358555
7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carboxylic acid
CID 126635122
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid (CID 169084287) is 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cccc(-c3ccccc3-c3ccccc3)c2[nH]1.
What is the InChIKey of 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is MDIANEFWYPPNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21(24)19-13-15-9-6-12-18(20(15)22-19)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-13,22H,(H,23,24).
What are the key properties of 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid?
7-(2-phenylphenyl)-1H-indole-2-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 7-(2-phenylphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 169084287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).