1H-Indole-2-carboxylic acid, 3,3'-((2-chlorophenyl)methylene)bis(1-methyl-

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Basic information

CAS: 58123-48-1
Standard SMILES: Cn1c(C(=O)O)c(C(c2ccccc2Cl)c2c(C(=O)O)n(C)c3ccccc23)c2ccccc21
InChIKey: LJXQKCQLHWDGSY-UHFFFAOYSA-N
Molecular formula: C27H21ClN2O4
Average molar mass: 472.9 g/mol
Monoisotopic mass: 472.1189848

Names & identifiers

Preferred name: 1H-Indole-2-carboxylic acid, 3,3'-((2-chlorophenyl)methylene)bis(1-methyl-
IUPAC: 3-[(2-carboxy-1-methylindol-3-yl)-(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid

Names & synonyms

BRN 08692911H-INDOLE-2-CARBOXYLIC ACID, 3,3'-((2-CHLOROPHENYL)METHYLENE)BIS(1-METHYL-Di(1-methyl-2-carboxy-3-indolyl)-o-chlorophenylmethane58123-48-1DTXSID002068435-25-06-00120 (Beilstein Handbook Reference)3,3'-((2-Chlorophenyl)methylene)bis(1-methyl-1H-indole-2-carboxylic acid)3,3'-[(2-Chlorophenyl)methylene]bis(1-methyl-1H-indole-2-carboxylic acid)RefChem:238956DTXCID30129334

Database identifiers

CAS: 58123-48-1
PubChem CID: 42634
DTXSID: DTXSID00206843

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 728

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Compound notes

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