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Chemical structure of Antibacterial agent 18

GC62534

Antibacterial agent 18

Also known as 4-[4-[4-(4-carboxyphenyl)-N-[4-(4-carboxyphenyl)phenyl]anilino]phenyl]benzoic acid

Antibacterial agent 18 is a multi-arm AIE molecule extracted from patent CN110123801A, compound 23

ChemicalCAS1239602-35-7MW605.63FormulaC39H27NO6
CAS number
1239602-35-7
Molecular weight
605.63
Formula
C39H27NO6
InChIKey
NWYGETXZXGDGKD-UHFFFAOYSA-N
Catalogue number
GC62534
Brand
GLPBIO
Computed properties PubChem CID 60197031 · XLogP 8.6 · TPSA 115 Ų · H-bond donors 3
XLogP
8.6
TPSA
115 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46

SMILES C1=CC(=CC=C1C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C(=O)O

Computed descriptors from PubChem (CID 60197031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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