[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid

C180H128F12N10O32 — CID 158271209

IUPAC[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CC(C)C(=O)c8ccc(Cc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CCC(=O)c1ccc(Cc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O
InChIInChI=1S/C90H65F6N5O15.C70H46F6N4O12.C20H17NO5/c1-45(2)86(114)116-63-23-13-51(14-24-63)52-38-58(100-81(109)68-31-17-55(42-73(68)84(100)112)87(5,89(91,92)93)53-15-29-66-71(40-53)79(107)98(8)77(66)105)44-59(39-52)101-82(110)69-32-18-56(43-74(69)85(101)113)88(6,90(94,95)96)54-16-30-67-72(41-54)83(111)99(80(67)108)57-19-25-62(26-20-57)115-61-21-9-48(10-22-61)36-60(102)34-47(4)75(103)64-27-11-49(33-46(64)3)35-50-12-28-65-70(37-50)78(106)97(7)76(65)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-3-17(22)13-6-4-12(10-16(13)20(25)26)8-11-5-7-14-15(9-11)19(24)21(2)18(14)23/h9-33,37-44,47,60,102H,1,34-36H2,2-8H3;6-25,27-33,49H,1,26,34H2,2-5H3;4-7,9-10H,3,8H2,1-2H3,(H,25,26)
InChIKeyGJAZZMKPGKTYCR-UHFFFAOYSA-N
MW3171.02 g/mol
LogP31.66
Rot. Bonds39

About [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid

[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid (PubChem CID 158271209) has the molecular formula C180H128F12N10O32 and a molecular weight of 3171.02 g/mol. Its IUPAC name is [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid.

Molecular Properties

Compound Name[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid
PubChem CID158271209
Molecular FormulaC180H128F12N10O32
Molecular Weight3171.02 g/mol
Exact Mass3168.85
IUPAC Name[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid
SMILESC=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CC(C)C(=O)c8ccc(Cc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CCC(=O)c1ccc(Cc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O
InChIInChI=1S/C90H65F6N5O15.C70H46F6N4O12.C20H17NO5/c1-45(2)86(114)116-63-23-13-51(14-24-63)52-38-58(100-81(109)68-31-17-55(42-73(68)84(100)112)87(5,89(91,92)93)53-15-29-66-71(40-53)79(107)98(8)77(66)105)44-59(39-52)101-82(110)69-32-18-56(43-74(69)85(101)113)88(6,90(94,95)96)54-16-30-67-72(41-54)83(111)99(80(67)108)57-19-25-62(26-20-57)115-61-21-9-48(10-22-61)36-60(102)34-47(4)75(103)64-27-11-49(33-46(64)3)35-50-12-28-65-70(37-50)78(106)97(7)76(65)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-3-17(22)13-6-4-12(10-16(13)20(25)26)8-11-5-7-14-15(9-11)19(24)21(2)18(14)23/h9-33,37-44,47,60,102H,1,34-36H2,2-8H3;6-25,27-33,49H,1,26,34H2,2-5H3;4-7,9-10H,3,8H2,1-2H3,(H,25,26)
InChIKeyGJAZZMKPGKTYCR-UHFFFAOYSA-N
XLogP31.66
TPSA549.06 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003171.02
LogP ≤ 531.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid?
The IUPAC name of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid (CID 158271209) is [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid.
What is the SMILES notation for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid?
The canonical SMILES for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid is C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC(O)CC(C)C(=O)c8ccc(Cc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.C=C(C)C(=O)Oc1ccc(-c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(CC8CO8)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)c2)cc1.CCC(=O)c1ccc(Cc2ccc3c(c2)C(=O)N(C)C3=O)cc1C(=O)O.
What is the InChIKey of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid?
The InChIKey is GJAZZMKPGKTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H65F6N5O15.C70H46F6N4O12.C20H17NO5/c1-45(2)86(114)116-63-23-13-51(14-24-63)52-38-58(100-81(109)68-31-17-55(42-73(68)84(100)112)87(5,89(91,92)93)53-15-29-66-71(40-53)79(107)98(8)77(66)105)44-59(39-52)101-82(110)69-32-18-56(43-74(69)85(101)113)88(6,90(94,95)96)54-16-30-67-72(41-54)83(111)99(80(67)108)57-19-25-62(26-20-57)115-61-21-9-48(10-22-61)36-60(102)34-47(4)75(103)64-27-11-49(33-46(64)3)35-50-12-28-65-70(37-50)78(106)97(7)76(65)104;1-35(2)66(89)92-48-18-8-37(9-19-48)38-27-44(79-61(84)52-24-12-41(31-56(52)64(79)87)67(3,69(71,72)73)39-10-22-50-54(29-39)59(82)77(5)58(50)81)33-45(28-38)80-62(85)53-25-13-42(32-57(53)65(80)88)68(4,70(74,75)76)40-11-23-51-55(30-40)63(86)78(60(51)83)43-14-20-47(21-15-43)91-46-16-6-36(7-17-46)26-49-34-90-49;1-3-17(22)13-6-4-12(10-16(13)20(25)26)8-11-5-7-14-15(9-11)19(24)21(2)18(14)23/h9-33,37-44,47,60,102H,1,34-36H2,2-8H3;6-25,27-33,49H,1,26,34H2,2-5H3;4-7,9-10H,3,8H2,1-2H3,(H,25,26).
What are the key properties of [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid?
[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid has a molecular weight of 3171.02 g/mol, XLogP of 31.66, 39 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-[2-hydroxy-4-methyl-5-[2-methyl-4-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]phenyl]-5-oxopentyl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[4-(oxiran-2-ylmethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]-2-propanoylbenzoic acid is sourced from PubChem (CID 158271209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).