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3'-(4-carboxy-3-fluorophenyl)-5'-[4'-carboxy-5-(4-carboxyphenyl)-[1,1'-biphenyl]-3-yl]-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid

3'-(4-carboxy-3-fluorophenyl)-5'-[4'-carboxy-5-(4-carboxyphenyl)-[1,1'-biphenyl]-3-yl]-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid

Formula: C40H24F2O8

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

IUPAC: 3'-(4-carboxy-3-fluorophenyl)-5'-[4'-carboxy-5-(4-carboxyphenyl)-[1,1'-biphenyl]-3-yl]-3-fluoro-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C40H24F2O8/c41-35-19-25(9-11-33(35)39(47)48)29-16-30(26-10-12-34(40(49)50)36(42)20-26)18-32(17-29)31-14-27(21-1-5-23(6-2-21)37(43)44)13-28(15-31)22-3-7-24(8-4-22)38(45)46/h1-20H,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

Composition: C (71.64%), H (3.61%), F (5.67%), O (19.09%)

Molar Mass: 670.621

Atom Count: 74

Heavy Atom Count: 50

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 670.143924059
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey JVOAXZRXQBRUTE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 181.2
Topological Polar Surface Area 149.2
Polarizability 73.66
Ring Count 6
Rotatable Bond Count 9

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