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4-[4'-(4-carboxyphenyl)-[2,2'-bipyridin]-4-yl]benzoic acid

4-[4'-(4-carboxyphenyl)-[2,2'-bipyridin]-4-yl]benzoic acid

Formula: C24H16N2O4

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=NC=C1)C1=NC=CC(=C1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[4'-(4-carboxyphenyl)-[2,2'-bipyridin]-4-yl]benzoic acid

InChI: InChI=1S/C24H16N2O4/c27-23(28)17-5-1-15(2-6-17)19-9-11-25-21(13-19)22-14-20(10-12-26-22)16-3-7-18(8-4-16)24(29)30/h1-14H,(H,27,28)(H,29,30)

Composition: C (72.72%), H (4.07%), N (7.07%), O (16.14%)

Molar Mass: 396.402

Atom Count: 46

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 396.111007003
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey VUDNLKPOONKNTD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.92
Topological Polar Surface Area 100.38
Polarizability 46.09
Ring Count 4
Rotatable Bond Count 5

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