bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate

C116H142O16P2 — CID 161351881

IUPACbis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate
SMILESCc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccccc1)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C62H79O8P.C54H63O8P/c1-34-25-38(49-43-29-41(58(8,9)10)32-46(61(17,18)19)53(43)66-55(49)63)26-35(2)51(34)69-71(65,68-48-24-23-40(57(5,6)7)31-45(48)60(14,15)16)70-52-36(3)27-39(28-37(52)4)50-44-30-42(59(11,12)13)33-47(62(20,21)22)54(44)67-56(50)64;1-30-22-34(43-39-26-36(51(5,6)7)28-41(53(11,12)13)47(39)58-49(43)55)23-31(2)45(30)61-63(57,60-38-20-18-17-19-21-38)62-46-32(3)24-35(25-33(46)4)44-40-27-37(52(8,9)10)29-42(54(14,15)16)48(40)59-50(44)56/h23-33,49-50H,1-22H3;17-29,43-44H,1-16H3
InChIKeyVOALLWNAKPZVFK-UHFFFAOYSA-N
MW1854.34 g/mol
LogP30.31
Rot. Bonds16

About bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate

bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate (PubChem CID 161351881) has the molecular formula C116H142O16P2 and a molecular weight of 1854.34 g/mol. Its IUPAC name is bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate.

Molecular Properties

Compound Namebis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate
PubChem CID161351881
Molecular FormulaC116H142O16P2
Molecular Weight1854.34 g/mol
Exact Mass1852.98
IUPAC Namebis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate
SMILESCc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccccc1)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C62H79O8P.C54H63O8P/c1-34-25-38(49-43-29-41(58(8,9)10)32-46(61(17,18)19)53(43)66-55(49)63)26-35(2)51(34)69-71(65,68-48-24-23-40(57(5,6)7)31-45(48)60(14,15)16)70-52-36(3)27-39(28-37(52)4)50-44-30-42(59(11,12)13)33-47(62(20,21)22)54(44)67-56(50)64;1-30-22-34(43-39-26-36(51(5,6)7)28-41(53(11,12)13)47(39)58-49(43)55)23-31(2)45(30)61-63(57,60-38-20-18-17-19-21-38)62-46-32(3)24-35(25-33(46)4)44-40-27-37(52(8,9)10)29-42(54(14,15)16)48(40)59-50(44)56/h23-33,49-50H,1-22H3;17-29,43-44H,1-16H3
InChIKeyVOALLWNAKPZVFK-UHFFFAOYSA-N
XLogP30.31
TPSA194.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.34
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate?
The IUPAC name of bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate (CID 161351881) is bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate.
What is the SMILES notation for bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate?
The canonical SMILES for bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate is Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP(=O)(Oc1ccccc1)Oc1c(C)cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.
What is the InChIKey of bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate?
The InChIKey is VOALLWNAKPZVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H79O8P.C54H63O8P/c1-34-25-38(49-43-29-41(58(8,9)10)32-46(61(17,18)19)53(43)66-55(49)63)26-35(2)51(34)69-71(65,68-48-24-23-40(57(5,6)7)31-45(48)60(14,15)16)70-52-36(3)27-39(28-37(52)4)50-44-30-42(59(11,12)13)33-47(62(20,21)22)54(44)67-56(50)64;1-30-22-34(43-39-26-36(51(5,6)7)28-41(53(11,12)13)47(39)58-49(43)55)23-31(2)45(30)61-63(57,60-38-20-18-17-19-21-38)62-46-32(3)24-35(25-33(46)4)44-40-27-37(52(8,9)10)29-42(54(14,15)16)48(40)59-50(44)56/h23-33,49-50H,1-22H3;17-29,43-44H,1-16H3.
What are the key properties of bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate?
bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate has a molecular weight of 1854.34 g/mol, XLogP of 30.31, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] (2,4-ditert-butylphenyl) phosphate;bis[4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)-2,6-dimethylphenyl] phenyl phosphate is sourced from PubChem (CID 161351881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).