Catalog Number
ACM1835723119-1
Product Name
4,4',4'',4''',4'''',4'''''-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
4-[5,11,12,17,18-pentakis(4-carboxyphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]benzoic acid
Molecular Formula
C62H38O12
InChI
InChI=1S/C62H38O12/c63-57(64)37-13-1-31(2-14-37)43-25-49-50(26-44(43)32-3-15-38(16-4-32)58(65)66)56-53-29-47(35-9-21-41(22-10-35)61(71)72)45(33-5-17-39(18-6-33)59(67)68)27-51(53)55(49)52-28-46(34-7-19-40(20-8-34)60(69)70)48(30-54(52)56)36-11-23-42(24-12-36)62(73)74/h1-30,55-56H,(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)
InChI Key
PZUNVLJATCTESM-UHFFFAOYSA-N
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
974.23632664g/mol
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
6
Monoisotopic Mass
974.23632664g/mol
Topological Polar Surface Area
224Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0