2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid

C64H50F18N4O12Si2 — CID 59104483

IUPAC2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
SMILESCCC[Si](C)(C)O[Si](C)(C)CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3cc(C(c5ccc(O)c(NC(=O)c6cc(C(c7ccc8c(c7)C(=O)N(CC)C8=O)(C(F)(F)F)C(F)(F)F)ccc6C(=O)O)c5)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C64H50F18N4O12Si2/c1-7-21-99(3,4)98-100(5,6)29-86-51(92)39-17-11-35(26-44(39)54(86)95)58(63(77,78)79,64(80,81)82)34-10-16-38-43(25-34)53(94)85(50(38)91)28-30-22-31(13-19-46(30)87)56(59(65,66)67,60(68,69)70)36-14-20-47(88)45(27-36)83-48(89)41-23-32(12-18-40(41)55(96)97)57(61(71,72)73,62(74,75)76)33-9-15-37-42(24-33)52(93)84(8-2)49(37)90/h9-20,22-27,87-88H,7-8,21,28-29H2,1-6H3,(H,83,89)(H,96,97)
InChIKeyOLODEIAFZGRPPR-UHFFFAOYSA-N
MW1465.26 g/mol
LogP14.66
Rot. Bonds18

About 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid

2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid (PubChem CID 59104483) has the molecular formula C64H50F18N4O12Si2 and a molecular weight of 1465.26 g/mol. Its IUPAC name is 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
PubChem CID59104483
Molecular FormulaC64H50F18N4O12Si2
Molecular Weight1465.26 g/mol
Exact Mass1464.27
IUPAC Name2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
SMILESCCC[Si](C)(C)O[Si](C)(C)CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3cc(C(c5ccc(O)c(NC(=O)c6cc(C(c7ccc8c(c7)C(=O)N(CC)C8=O)(C(F)(F)F)C(F)(F)F)ccc6C(=O)O)c5)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C64H50F18N4O12Si2/c1-7-21-99(3,4)98-100(5,6)29-86-51(92)39-17-11-35(26-44(39)54(86)95)58(63(77,78)79,64(80,81)82)34-10-16-38-43(25-34)53(94)85(50(38)91)28-30-22-31(13-19-46(30)87)56(59(65,66)67,60(68,69)70)36-14-20-47(88)45(27-36)83-48(89)41-23-32(12-18-40(41)55(96)97)57(61(71,72)73,62(74,75)76)33-9-15-37-42(24-33)52(93)84(8-2)49(37)90/h9-20,22-27,87-88H,7-8,21,28-29H2,1-6H3,(H,83,89)(H,96,97)
InChIKeyOLODEIAFZGRPPR-UHFFFAOYSA-N
XLogP14.66
TPSA228.23 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.26
LogP ≤ 514.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid with MolForge

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Related Compounds

2,6-Bis[5-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 21022185
2-[[5-[1,1,1,3,3,3-Hexafluoro-2-[3-[[3-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(methylamino)phenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoyl]amino]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]carbamoyl]benzoic acid
CID 21045057
5-[2-[5-[1,1,1,3,3,3-Hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione
CID 21350854
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 57558620
4-[2-[4-Carboxy-3-[[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]carbamoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(methylcarbamoyl)benzoic acid
CID 57957937
3-[5-[2-[2-[[[5-[2-(1,3-Dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl-dimethylsilyl]oxymethyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-4-hydroxy-5-methylbenzoic acid
CID 58350228
2-Methyl-5-[1,1,1-trifluoro-2-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 58498417
4-[2-[4-Carboxy-3-[[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]carbamoyl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-(methylcarbamoyl)benzoic acid
CID 58498419
5-[2-[5-[2-(3,4-Dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione
CID 59883088
5-[2-[5-[1,1,1,3,3,3-Hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 59993853
3-[[4-[2-[4-[3-[Diethoxy(methyl)silyl]propylcarbamoyloxy]-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-2-methylphenoxy]carbonylamino]propyl 2-methylprop-2-enoate
CID 88487675
5-[2-(2-Tert-butyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[2-(3-tert-butyl-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]isoindole-1,3-dione
CID 88487915

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid?
The IUPAC name of 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid (CID 59104483) is 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid.
What is the SMILES notation for 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid?
The canonical SMILES for 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid is CCC[Si](C)(C)O[Si](C)(C)CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(Cc3cc(C(c5ccc(O)c(NC(=O)c6cc(C(c7ccc8c(c7)C(=O)N(CC)C8=O)(C(F)(F)F)C(F)(F)F)ccc6C(=O)O)c5)(C(F)(F)F)C(F)(F)F)ccc3O)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid?
The InChIKey is OLODEIAFZGRPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50F18N4O12Si2/c1-7-21-99(3,4)98-100(5,6)29-86-51(92)39-17-11-35(26-44(39)54(86)95)58(63(77,78)79,64(80,81)82)34-10-16-38-43(25-34)53(94)85(50(38)91)28-30-22-31(13-19-46(30)87)56(59(65,66)67,60(68,69)70)36-14-20-47(88)45(27-36)83-48(89)41-23-32(12-18-40(41)55(96)97)57(61(71,72)73,62(74,75)76)33-9-15-37-42(24-33)52(93)84(8-2)49(37)90/h9-20,22-27,87-88H,7-8,21,28-29H2,1-6H3,(H,83,89)(H,96,97).
What are the key properties of 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid?
2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid has a molecular weight of 1465.26 g/mol, XLogP of 14.66, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[3-[[5-[2-[2-[[[dimethyl(propyl)silyl]oxy-dimethylsilyl]methyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]methyl]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]carbamoyl]-4-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid is sourced from PubChem (CID 59104483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).