[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one

C116H159O17P3 — CID 159103985

About [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one

[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one (PubChem CID 159103985) has the molecular formula C116H159O17P3 and a molecular weight of 1918.45 g/mol. Its IUPAC name is [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one.

Molecular Properties

• Compound Name: [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one
• PubChem CID: 159103985
• Molecular Formula: C116H159O17P3
• Molecular Weight: 1918.45 g/mol
• Exact Mass: 1917.08
• IUPAC Name: [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one
• SMILES: CC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP1OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)CC(C)(C)C)cc41)OO3)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C64H88O12P2.C52H71O5P/c1-56(2,3)33-60(13,14)40-21-25-48-44(29-40)52(54(65)71-48)46-31-42(62(17,18)35-58(7,8)9)23-27-50(46)73-77-68-37-64(38-69-77)39-70-78(67,76-75-64)74-51-28-24-43(63(19,20)36-59(10,11)12)32-47(51)53-45-30-41(22-26-49(45)72-55(53)66)61(15,16)34-57(4,5)6;1-31-25-33(43-37-27-36(49(9,10)11)30-40(52(18,19)20)45(37)54-46(43)53)26-32(2)44(31)57-58(55-41-23-21-34(47(3,4)5)28-38(41)50(12,13)14)56-42-24-22-35(48(6,7)8)29-39(42)51(15,16)17/h21-32,52-53H,33-39H2,1-20H3;21-30,43H,1-20H3
• InChIKey: KDQJVLOHZVQFAH-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 188.27 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.45
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one?

The IUPAC name of [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one (CID 159103985) is [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one.

What is the SMILES notation for [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one?

The canonical SMILES for [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one is CC(C)(C)CC(C)(C)c1ccc2c(c1)C(c1cc(C(C)(C)CC(C)(C)C)ccc1OP1OCC3(CO1)COP(=O)(Oc1ccc(C(C)(C)CC(C)(C)C)cc1C1C(=O)Oc4ccc(C(C)(C)CC(C)(C)C)cc41)OO3)C(=O)O2.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one?

The InChIKey is KDQJVLOHZVQFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H88O12P2.C52H71O5P/c1-56(2,3)33-60(13,14)40-21-25-48-44(29-40)52(54(65)71-48)46-31-42(62(17,18)35-58(7,8)9)23-27-50(46)73-77-68-37-64(38-69-77)39-70-78(67,76-75-64)74-51-28-24-43(63(19,20)36-59(10,11)12)32-47(51)53-45-30-41(22-26-49(45)72-55(53)66)61(15,16)34-57(4,5)6;1-31-25-33(43-37-27-36(49(9,10)11)30-40(52(18,19)20)45(37)54-46(43)53)26-32(2)44(31)57-58(55-41-23-21-34(47(3,4)5)28-38(41)50(12,13)14)56-42-24-22-35(48(6,7)8)29-39(42)51(15,16)17/h21-32,52-53H,33-39H2,1-20H3;21-30,43H,1-20H3.

What are the key properties of [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one?

[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one has a molecular weight of 1918.45 g/mol, XLogP of 32.10, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] bis(2,4-ditert-butylphenyl) phosphite;3-[2-[[3-oxo-3-[2-[2-oxo-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,2,4,8,10-pentaoxa-3λ5,9-diphosphaspiro[5.5]undecan-9-yl]oxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 159103985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).