2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin

Catalog Number	ACM121399880-1
CAS	121399-88-0
Structure
Synonyms	2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
IUPAC Name	2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
Molecular Weight	1118.47
Molecular Formula	C44H2F28N4
Canonical SMILES	C1(=C2C(=C(C(=C(C3=NC(=C(C4=C(C(=C(N4)C(=C5C(=C(C1=N5)F)F)C6=C(C(=C(C(=C6F)F)F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C3F)F)C8=C(C(=C(C(=C8F)F)F)F)F)N2)F)F)C9=C(C(=C(C(=C9F)F)F)F)F
InChI	YPQJLILOZYQHNR-UHFFFAOYSA-N
InChI Key	InChI=1S/C44H2F28N4/c45-9-1(10(46)18(54)25(61)17(9)53)5-37-29(65)31(67)39(73-37)6(2-11(47)19(55)26(62)20(56)12(2)48)41-33(69)35(71)43(75-41)8(4-15(51)23(59)28(64)24(60)16(4)52)44-36(72)34(70)42(76-44)7(40-32(68)30(66)38(5)74-40)3-13(49)21(57)27(63)22(58)14(3)50/h73,76H
Purity	98%
Complexity	1690
Covalently-Bonded Unit Count	1
Exact Mass	1117.9832346
Heavy Atom Count	76
Hydrogen Bond Acceptor Count	30
Hydrogen Bond Donor Count	2
Monoisotopic Mass	1117.9832346
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų