Text Search
Structure Search

3-fluoro-4'-[1,2,2-tris({4'-carboxy-3'-fluoro-[1,1'-biphenyl]-4-yl})ethenyl]-[1,1'-biphenyl]-4-carboxylic acid

3-fluoro-4'-[1,2,2-tris({4'-carboxy-3'-fluoro-[1,1'-biphenyl]-4-yl})ethenyl]-[1,1'-biphenyl]-4-carboxylic acid

Formula: C54H32F4O8

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

IUPAC: 3-fluoro-4'-[1,2,2-tris({4'-carboxy-3'-fluoro-[1,1'-biphenyl]-4-yl})ethenyl]-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C54H32F4O8/c55-45-25-37(17-21-41(45)51(59)60)29-1-9-33(10-2-29)49(34-11-3-30(4-12-34)38-18-22-42(52(61)62)46(56)26-38)50(35-13-5-31(6-14-35)39-19-23-43(53(63)64)47(57)27-39)36-15-7-32(8-16-36)40-20-24-44(54(65)66)48(58)28-40/h1-28H,(H,59,60)(H,61

Composition: C (73.30%), H (3.65%), F (8.59%), O (14.47%)

Molar Mass: 884.836

Atom Count: 98

Heavy Atom Count: 66

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 0
Exact Mass 884.203330642
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey IHKRESYCCWBHNA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 259.05
Topological Polar Surface Area 149.2
Polarizability 94.2
Ring Count 8
Rotatable Bond Count 12

Suppliers

No suppliers are currently stocking this item.