3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C198H277FN6O23S2 — CID 163951808

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SC)n1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(F)c2)cc1
InChIInChI=1S/C69H100O12.C40H62O6.C34H52N2O4.C29H21F.C26H42N4OS2/c1-61(2,3)45-33-41(34-46(57(45)74)62(4,5)6)25-29-53(70)78-69(79-54(71)30-26-42-35-47(63(7,8)9)58(75)48(36-42)64(10,11)12,80-55(72)31-27-43-37-49(65(13,14)15)59(76)50(38-43)66(16,17)18)81-56(73)32-28-44-39-51(67(19,20)21)60(77)52(40-44)68(22,23)24;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12;1-20-6-8-22(9-7-20)27-16-17-28(29(30)19-27)24-13-10-23(11-14-24)26-15-12-21-4-2-3-5-25(21)18-26;1-9-10-11-12-13-14-15-33-24-29-22(28-23(30-24)32-8)27-18-16-19(25(2,3)4)21(31)20(17-18)26(5,6)7/h33-40,74-77H,25-32H2,1-24H3;23-26,43-44H,13-22H2,1-12H3;17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38);2-19H,1H3;16-17,31H,9-15H2,1-8H3,(H,27,28,29,30)
InChIKeyRZYYNUJITAGLFK-UHFFFAOYSA-N
MW3192.54 g/mol
LogP48.38
Rot. Bonds49

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 163951808) has the molecular formula C198H277FN6O23S2 and a molecular weight of 3192.54 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID163951808
Molecular FormulaC198H277FN6O23S2
Molecular Weight3192.54 g/mol
Exact Mass3190.01
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SC)n1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(F)c2)cc1
InChIInChI=1S/C69H100O12.C40H62O6.C34H52N2O4.C29H21F.C26H42N4OS2/c1-61(2,3)45-33-41(34-46(57(45)74)62(4,5)6)25-29-53(70)78-69(79-54(71)30-26-42-35-47(63(7,8)9)58(75)48(36-42)64(10,11)12,80-55(72)31-27-43-37-49(65(13,14)15)59(76)50(38-43)66(16,17)18)81-56(73)32-28-44-39-51(67(19,20)21)60(77)52(40-44)68(22,23)24;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12;1-20-6-8-22(9-7-20)27-16-17-28(29(30)19-27)24-13-10-23(11-14-24)26-15-12-21-4-2-3-5-25(21)18-26;1-9-10-11-12-13-14-15-33-24-29-22(28-23(30-24)32-8)27-18-16-19(25(2,3)4)21(31)20(17-18)26(5,6)7/h33-40,74-77H,25-32H2,1-24H3;23-26,43-44H,13-22H2,1-12H3;17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38);2-19H,1H3;16-17,31H,9-15H2,1-8H3,(H,27,28,29,30)
InChIKeyRZYYNUJITAGLFK-UHFFFAOYSA-N
XLogP48.38
TPSA448.77 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds49
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003192.54
LogP ≤ 548.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 163951808) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SC)n1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(F)c2)cc1.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is RZYYNUJITAGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H100O12.C40H62O6.C34H52N2O4.C29H21F.C26H42N4OS2/c1-61(2,3)45-33-41(34-46(57(45)74)62(4,5)6)25-29-53(70)78-69(79-54(71)30-26-42-35-47(63(7,8)9)58(75)48(36-42)64(10,11)12,80-55(72)31-27-43-37-49(65(13,14)15)59(76)50(38-43)66(16,17)18)81-56(73)32-28-44-39-51(67(19,20)21)60(77)52(40-44)68(22,23)24;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12;1-20-6-8-22(9-7-20)27-16-17-28(29(30)19-27)24-13-10-23(11-14-24)26-15-12-21-4-2-3-5-25(21)18-26;1-9-10-11-12-13-14-15-33-24-29-22(28-23(30-24)32-8)27-18-16-19(25(2,3)4)21(31)20(17-18)26(5,6)7/h33-40,74-77H,25-32H2,1-24H3;23-26,43-44H,13-22H2,1-12H3;17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38);2-19H,1H3;16-17,31H,9-15H2,1-8H3,(H,27,28,29,30).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 3192.54 g/mol, XLogP of 48.38, 49 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 163951808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).