bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)

C304H303F5I20O21S+18 — CID 165008612

IUPACbis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)
SMILESCC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)c1ccc([I+]C2CCCCC2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2cccc(CC(=O)OCC(=O)OC3CCC(=O)O3)c2)cc1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[I+]2.CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1[I+]2.CCC1(OC(=O)COC(=O)Cc2cccc([I+]c3ccc(C(C)(C)C)cc3)c2)CCCC1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2cccc3ccccc23)cc1.Fc1ccc2c(c1)-c1cc(F)ccc1[I+]2.Ic1ccc([I+]c2ccc(I)cc2)cc1.O=C1c2ccccc2[I+]c2ccccc21.c1ccc(-c2ccc([I+]c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([I+]C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c(c1)Oc1ccccc1[I+]2.c1ccc2c(c1)Sc1ccccc1[I+]2
InChIInChI=1S/C27H34IO4.C24H26IO6.C24H18I.2C20H22IO4.C20H24IO.C20H24I.C20H26I.C16H11FI.C16H24I.C13H8IO.C12H6F2I.C12H8F2I.C12H8I3.C12H8IO.C12H8IS.C12H16I.C12H10I/c1-5-27(15-6-7-16-27)32-25(30)19-31-24(29)18-20-9-8-10-23(17-20)28-22-13-11-21(12-14-22)26(2,3)4;1-24(2,3)17-7-9-18(10-8-17)25-19-6-4-5-16(13-19)14-21(27)29-15-22(28)31-23-12-11-20(26)30-23;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2*1-20(2,3)25-19(23)14-24-18(22)13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16;1-19(2,3)13-7-9-15-17(11-13)22-18-12-14(20(4,5)6)8-10-16(18)21-15;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-14,17H,5-7,15-16,18-19H2,1-4H3;4-10,13,23H,11-12,14-15H2,1-3H3;1-18H;2*4-12H,13-14H2,1-3H3;7-12H,1-6H3;7-12H,1-6H3;7-14H,1-6H3;1-11H;9-12,14H,4-8H2,1-3H3;1-8H;1-6H;2*1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;1-10H/q18*+1
InChIKeyJISRCZDJEPKASF-UHFFFAOYSA-N
MW6957.88 g/mol
LogP17.34
Rot. Bonds45

About bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)

bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) (PubChem CID 165008612) has the molecular formula C304H303F5I20O21S+18 and a molecular weight of 6957.88 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium).

Molecular Properties

Compound Namebis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)
PubChem CID165008612
Molecular FormulaC304H303F5I20O21S+18
Molecular Weight6957.88 g/mol
Exact Mass6954.31
IUPAC Namebis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)
SMILESCC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)c1ccc([I+]C2CCCCC2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2cccc(CC(=O)OCC(=O)OC3CCC(=O)O3)c2)cc1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[I+]2.CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1[I+]2.CCC1(OC(=O)COC(=O)Cc2cccc([I+]c3ccc(C(C)(C)C)cc3)c2)CCCC1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2cccc3ccccc23)cc1.Fc1ccc2c(c1)-c1cc(F)ccc1[I+]2.Ic1ccc([I+]c2ccc(I)cc2)cc1.O=C1c2ccccc2[I+]c2ccccc21.c1ccc(-c2ccc([I+]c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([I+]C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c(c1)Oc1ccccc1[I+]2.c1ccc2c(c1)Sc1ccccc1[I+]2
InChIInChI=1S/C27H34IO4.C24H26IO6.C24H18I.2C20H22IO4.C20H24IO.C20H24I.C20H26I.C16H11FI.C16H24I.C13H8IO.C12H6F2I.C12H8F2I.C12H8I3.C12H8IO.C12H8IS.C12H16I.C12H10I/c1-5-27(15-6-7-16-27)32-25(30)19-31-24(29)18-20-9-8-10-23(17-20)28-22-13-11-21(12-14-22)26(2,3)4;1-24(2,3)17-7-9-18(10-8-17)25-19-6-4-5-16(13-19)14-21(27)29-15-22(28)31-23-12-11-20(26)30-23;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2*1-20(2,3)25-19(23)14-24-18(22)13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16;1-19(2,3)13-7-9-15-17(11-13)22-18-12-14(20(4,5)6)8-10-16(18)21-15;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-14,17H,5-7,15-16,18-19H2,1-4H3;4-10,13,23H,11-12,14-15H2,1-3H3;1-18H;2*4-12H,13-14H2,1-3H3;7-12H,1-6H3;7-12H,1-6H3;7-14H,1-6H3;1-11H;9-12,14H,4-8H2,1-3H3;1-8H;1-6H;2*1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;1-10H/q18*+1
InChIKeyJISRCZDJEPKASF-UHFFFAOYSA-N
XLogP17.34
TPSA272.23 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms351
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006957.88
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)?
The IUPAC name of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) (CID 165008612) is bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium).
What is the SMILES notation for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)?
The canonical SMILES for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) is CC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)OC(=O)COC(=O)Cc1cccc([I+]c2ccccc2)c1.CC(C)(C)c1ccc([I+]C2CCCCC2)cc1.CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([I+]c2cccc(CC(=O)OCC(=O)OC3CCC(=O)O3)c2)cc1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[I+]2.CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1[I+]2.CCC1(OC(=O)COC(=O)Cc2cccc([I+]c3ccc(C(C)(C)C)cc3)c2)CCCC1.Fc1ccc([I+]c2ccc(F)cc2)cc1.Fc1ccc([I+]c2cccc3ccccc23)cc1.Fc1ccc2c(c1)-c1cc(F)ccc1[I+]2.Ic1ccc([I+]c2ccc(I)cc2)cc1.O=C1c2ccccc2[I+]c2ccccc21.c1ccc(-c2ccc([I+]c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([I+]C2CCCCC2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc2c(c1)Oc1ccccc1[I+]2.c1ccc2c(c1)Sc1ccccc1[I+]2.
What is the InChIKey of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)?
The InChIKey is JISRCZDJEPKASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34IO4.C24H26IO6.C24H18I.2C20H22IO4.C20H24IO.C20H24I.C20H26I.C16H11FI.C16H24I.C13H8IO.C12H6F2I.C12H8F2I.C12H8I3.C12H8IO.C12H8IS.C12H16I.C12H10I/c1-5-27(15-6-7-16-27)32-25(30)19-31-24(29)18-20-9-8-10-23(17-20)28-22-13-11-21(12-14-22)26(2,3)4;1-24(2,3)17-7-9-18(10-8-17)25-19-6-4-5-16(13-19)14-21(27)29-15-22(28)31-23-12-11-20(26)30-23;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20;2*1-20(2,3)25-19(23)14-24-18(22)13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16;1-19(2,3)13-7-9-15-17(11-13)22-18-12-14(20(4,5)6)8-10-16(18)21-15;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11;2*13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-14,17H,5-7,15-16,18-19H2,1-4H3;4-10,13,23H,11-12,14-15H2,1-3H3;1-18H;2*4-12H,13-14H2,1-3H3;7-12H,1-6H3;7-12H,1-6H3;7-14H,1-6H3;1-11H;9-12,14H,4-8H2,1-3H3;1-8H;1-6H;2*1-8H;2*1-8H;1,3-4,7-8,12H,2,5-6,9-10H2;1-10H/q18*+1.
What are the key properties of bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium)?
bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) has a molecular weight of 6957.88 g/mol, XLogP of 17.34, 45 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)iodanium;bis(4-fluorophenyl)iodanium;bis(4-iodophenyl)iodanium;bis(4-phenylphenyl)iodanium;(4-tert-butylphenyl)-cyclohexyliodanium;(4-tert-butylphenyl)-[3-[2-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl]phenyl]iodanium;(4-tert-butylphenyl)-[3-[2-oxo-2-[2-oxo-2-(5-oxooxolan-2-yl)oxyethoxy]ethyl]phenyl]iodanium;cyclohexyl(phenyl)iodanium;6,12-ditert-butyl-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;4,12-ditert-butyl-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-difluoro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;diphenyliodanium;(4-fluorophenyl)-naphthalen-1-yliodanium;2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodonia-9-thiatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene;2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one;bis([3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl]phenyl]-phenyliodanium) is sourced from PubChem (CID 165008612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).