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

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

Formula: C52H34O8

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

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

InChI: InChI=1S/C52H34O8/c53-49(54)39-17-9-33(10-18-39)31-1-5-35(6-2-31)43-25-44(36-7-3-32(4-8-36)34-11-19-40(20-12-34)50(55)56)28-47(27-43)48-29-45(37-13-21-41(22-14-37)51(57)58)26-46(30-48)38-15-23-42(24-16-38)52(59)60/h1-30H,(H,53,54)(H,55,56)(H,57,58)(H,59,6

Composition: C (79.38%), H (4.36%), O (16.27%)

Molar Mass: 786.836

Atom Count: 94

Heavy Atom Count: 60

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 786.225368055
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey AEPZROPWWTVZRN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 231.04
Topological Polar Surface Area 149.2
Polarizability 96.61
Ring Count 8
Rotatable Bond Count 11

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