5-[[3-carboxy-4-[(4-phenylbenzoyl)amino]phenyl]methyl]-2-[(4-phenylbenzoyl)amino]benzoic Acid
Basic information
- CAS
331675-78-6- Standard SMILES
O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)c(C(=O)O)c2)cc1C(=O)O)c1ccc(-c2ccccc2)cc1- InChIKey
QCNZQAXKPRQPCN-UHFFFAOYSA-N- Molecular formula
- C41H30N2O6
- Average molar mass
- 646.7 g/mol
- Monoisotopic mass
- 646.21038668
Names & identifiers
- Preferred name
- 5-[[3-carboxy-4-[(4-phenylbenzoyl)amino]phenyl]methyl]-2-[(4-phenylbenzoyl)amino]benzoic Acid
- IUPAC
- 5-[[3-carboxy-4-[(4-phenylbenzoyl)amino]phenyl]methyl]-2-[(4-phenylbenzoyl)amino]benzoic acid
Names & synonyms
0YB604WTV3C-473872331675-78-6UNII-0YB604WTV3CB-473872ZINC1503630063,3'-Methylenebis(6-(((1,1'-biphenyl)-4-ylcarbonyl)amino)benzoic acid)Benzoic acid, 3,3'-methylenebis(6-(((1,1'-biphenyl)-4-ylcarbonyl)amino)-5-[[3-carboxy-4-[(4-phenylbenzoyl)amino]phenyl]methyl]-2-[(4-phenylbenzoyl)amino]benzoic AcidSCHEMBL14075299SCHEMBL29472419MFCD00809916
Show more names
STK046399AKOS003241744ZINC000150363006AG-690/110260243,3'-methylenebis{6-[(4-biphenylylcarbonyl)amino]benzoic acid}33METHANEDIYLBIS(6((BIPHENYL4YLCARBONYL)AMINO)BENZOICACID)5((3CARBOXY4((4PHENYLBENZOYL)AMINO)PHENYL)METHYL)2((4PHENYLBENZOYL)AMINO)BENZOICACIDOC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)c1ccccc1)Cc1ccc(c(c1)C(=O)O)NC(=O)c1ccc(cc1)c1ccccc1
Database identifiers
- CAS
331675-78-6- PubChem CID
- 2847732
- UNII
- 0YB604WTV3
- Nikkaji
- J1.913.142D
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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