5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C244H159F45N10O34S — CID 159949243

IUPAC5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C51H35F9N2O8S.C51H35F9N2O7.C50H31F9N2O7.C49H31F9N2O6.C43H27F9N2O6/c1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)71(69,70)29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)69-29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-12-15-27(22-37(24)45(2,67)48(51,52)53)46(35-10-6-4-8-29(35)30-9-5-7-11-36(30)46)28-16-19-39(38(23-28)47(68,49(54,55)56)50(57,58)59)61-43(65)32-18-14-26(21-34(32)44(61)66)40(62)25-13-17-31-33(20-25)42(64)60(3)41(31)63;1-24-12-15-27(22-37(24)44(2,65)47(50,51)52)45(35-10-6-4-8-29(35)30-9-5-7-11-36(30)45)28-16-19-39(38(23-28)46(66,48(53,54)55)49(56,57)58)60-42(63)32-18-14-26(21-34(32)43(60)64)25-13-17-31-33(20-25)41(62)59(3)40(31)61;1-20-12-13-21(16-31(20)38(2,59)41(44,45)46)39(29-10-6-4-8-23(29)24-9-5-7-11-30(24)39)22-14-15-33(32(17-22)40(60,42(47,48)49)43(50,51)52)54-36(57)27-18-25-26(19-28(27)37(54)58)35(56)53(3)34(25)55/h6-23,67-68H,1-5H3;6-23,67-68H,1-5H3;4-23,67-68H,1-3H3;4-23,65-66H,1-3H3;4-19,59-60H,1-3H3
InChIKeyOBWUDMVUIIHUQV-UHFFFAOYSA-N
MW4661.97 g/mol
LogP47.81
Rot. Bonds32

About 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 159949243) has the molecular formula C244H159F45N10O34S and a molecular weight of 4661.97 g/mol. Its IUPAC name is 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID159949243
Molecular FormulaC244H159F45N10O34S
Molecular Weight4661.97 g/mol
Exact Mass4659.00
IUPAC Name5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C51H35F9N2O8S.C51H35F9N2O7.C50H31F9N2O7.C49H31F9N2O6.C43H27F9N2O6/c1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)71(69,70)29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)69-29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-12-15-27(22-37(24)45(2,67)48(51,52)53)46(35-10-6-4-8-29(35)30-9-5-7-11-36(30)46)28-16-19-39(38(23-28)47(68,49(54,55)56)50(57,58)59)61-43(65)32-18-14-26(21-34(32)44(61)66)40(62)25-13-17-31-33(20-25)42(64)60(3)41(31)63;1-24-12-15-27(22-37(24)44(2,65)47(50,51)52)45(35-10-6-4-8-29(35)30-9-5-7-11-36(30)45)28-16-19-39(38(23-28)46(66,48(53,54)55)49(56,57)58)60-42(63)32-18-14-26(21-34(32)43(60)64)25-13-17-31-33(20-25)41(62)59(3)40(31)61;1-20-12-13-21(16-31(20)38(2,59)41(44,45)46)39(29-10-6-4-8-23(29)24-9-5-7-11-30(24)39)22-14-15-33(32(17-22)40(60,42(47,48)49)43(50,51)52)54-36(57)27-18-25-26(19-28(27)37(54)58)35(56)53(3)34(25)55/h6-23,67-68H,1-5H3;6-23,67-68H,1-5H3;4-23,67-68H,1-3H3;4-23,65-66H,1-3H3;4-19,59-60H,1-3H3
InChIKeyOBWUDMVUIIHUQV-UHFFFAOYSA-N
XLogP47.81
TPSA639.92 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004661.97
LogP ≤ 547.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 159949243) is 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(S(=O)(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc(C(C)(O)C(F)(F)F)c1C.Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.Cc1ccc(C2(c3ccc(N4C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(C)C7=O)cc5C4=O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is OBWUDMVUIIHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35F9N2O8S.C51H35F9N2O7.C50H31F9N2O7.C49H31F9N2O6.C43H27F9N2O6/c1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)71(69,70)29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-18-27(20-39(26(24)3)46(4,67)49(52,53)54)47(37-12-8-6-10-31(37)32-11-7-9-13-38(32)47)28-19-25(2)41(40(21-28)48(68,50(55,56)57)51(58,59)60)62-44(65)34-17-15-30(23-36(34)45(62)66)69-29-14-16-33-35(22-29)43(64)61(5)42(33)63;1-24-12-15-27(22-37(24)45(2,67)48(51,52)53)46(35-10-6-4-8-29(35)30-9-5-7-11-36(30)46)28-16-19-39(38(23-28)47(68,49(54,55)56)50(57,58)59)61-43(65)32-18-14-26(21-34(32)44(61)66)40(62)25-13-17-31-33(20-25)42(64)60(3)41(31)63;1-24-12-15-27(22-37(24)44(2,65)47(50,51)52)45(35-10-6-4-8-29(35)30-9-5-7-11-36(30)45)28-16-19-39(38(23-28)46(66,48(53,54)55)49(56,57)58)60-42(63)32-18-14-26(21-34(32)43(60)64)25-13-17-31-33(20-25)41(62)59(3)40(31)61;1-20-12-13-21(16-31(20)38(2,59)41(44,45)46)39(29-10-6-4-8-23(29)24-9-5-7-11-30(24)39)22-14-15-33(32(17-22)40(60,42(47,48)49)43(50,51)52)54-36(57)27-18-25-26(19-28(27)37(54)58)35(56)53(3)34(25)55/h6-23,67-68H,1-5H3;6-23,67-68H,1-5H3;4-23,67-68H,1-3H3;4-23,65-66H,1-3H3;4-19,59-60H,1-3H3.
What are the key properties of 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 4661.97 g/mol, XLogP of 47.81, 32 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[4-[9-[3,4-dimethyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylphenyl]-1,3-dioxoisoindol-5-yl]sulfonyl-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;5-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione;2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 159949243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).