4,4',4'',4''',4'''',4'''''-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid

Catalog Number	ACM1835723119-1
CAS	1835723-11-9
Synonyms	H6PET
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 Weight	974.96
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
Purity	95%
Appearance	White solid
Complexity	1670
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	974.23632664g/mol
Formal Charge	0
Heavy Atom Count	74
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Monoisotopic Mass	974.23632664g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	224Ų