Benzoic acid, 3,3'-carbonylbis[6-[(1-naphthalenylcarbonyl)amino]-

HCID 10077445

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Basic information

CAS: 755040-95-0
Standard SMILES: O=C(c1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1)c1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)O)c1
InChIKey: BKDUCWKFFJGDAC-UHFFFAOYSA-N
Molecular formula: C37H24N2O7
Average molar mass: 608.6 g/mol
Monoisotopic mass: 608.15835111

Names & identifiers

Preferred name: Benzoic acid, 3,3'-carbonylbis[6-[(1-naphthalenylcarbonyl)amino]-
IUPAC: 5-[3-carboxy-4-(naphthalene-1-carbonylamino)benzoyl]-2-(naphthalene-1-carbonylamino)benzoic acid

Names & synonyms

755040-95-05,5'-Carbonylbis(2-(1-naphthamido)benzoic acid)5-[3-carboxy-4-(naphthalene-1-amido)benzoyl]-2-(naphthalene-1-amido)benzoic acidBenzoic acid, 3,3'-carbonylbis[6-[(1-naphthalenylcarbonyl)amino]-SCHEMBL14413339DTXSID704351883,3'-Carbonylbis[6-(naphthalene-1-carboxamido)benzoic acid]

Database identifiers

CAS: 755040-95-0
PubChem CID: 10077445
DTXSID: DTXSID70435188

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 150 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 46
Formal charge: 0
Complexity: 1,070

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