5-(4-tert-Butylphenyl)-1-(4-isopropoxy-3-nitrophenyl)-1H-indole-2-carboxylic acid

HCID 68698339
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Basic information

Standard SMILES
CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(C)(C)C)cc4)ccc32)cc1[N+](=O)[O-]
InChIKey
HQZICRQQIFTIHH-UHFFFAOYSA-N
Molecular formula
C28H28N2O5
Average molar mass
472.5 g/mol

Names & identifiers

Preferred name
5-(4-tert-Butylphenyl)-1-(4-isopropoxy-3-nitrophenyl)-1H-indole-2-carboxylic acid
IUPAC
5-(4-tert-butylphenyl)-1-(3-nitro-4-propan-2-yloxyphenyl)indole-2-carboxylic acid

Names & synonyms

SCHEMBL3574571HQZICRQQIFTIHH-UHFFFAOYSA-N5-(4-tert-Butylphenyl)-1-(4-isopropoxy-3-nitrophenyl)-1H-indole-2-carboxylic acid

Database identifiers

PubChem CID
68698339

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
97.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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