Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoethyl ester

HCID 3929031

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Basic information

CAS: 731783-59-8
Standard SMILES: CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1
InChIKey: QBSKZRHMSFDGPF-UHFFFAOYSA-N
Molecular formula: C32H28N4O3
Average molar mass: 516.6 g/mol
Monoisotopic mass: 516.21614077

Names & identifiers

Preferred name: Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoethyl ester
IUPAC: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate

Names & synonyms

DTXSID701039972AKOS030643128731783-59-8Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoethyl esterZ18986849

Database identifiers

CAS: 731783-59-8
PubChem CID: 3929031
DTXSID: DTXSID701039972

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 76.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 848

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