2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

C62H69O6P — CID 175795609

IUPAC2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C62H69O6P/c1-57(2,3)46-35-47(58(4,5)6)37-50(36-46)65-55-51(38-48(63-13)40-53(55)59(7,8)9)52-39-49(64-14)41-54(60(10,11)12)56(52)66-69-67-61(42-27-19-15-20-28-42,43-29-21-16-22-30-43)62(68-69,44-31-23-17-24-32-44)45-33-25-18-26-34-45/h15-41H,1-14H3
InChIKeyNXIFLXBDHJMIIB-UHFFFAOYSA-N
MW941.20 g/mol
LogP16.89
Rot. Bonds11

About 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (PubChem CID 175795609) has the molecular formula C62H69O6P and a molecular weight of 941.20 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
PubChem CID175795609
Molecular FormulaC62H69O6P
Molecular Weight941.20 g/mol
Exact Mass940.48
IUPAC Name2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(C)(C)C)c1
InChIInChI=1S/C62H69O6P/c1-57(2,3)46-35-47(58(4,5)6)37-50(36-46)65-55-51(38-48(63-13)40-53(55)59(7,8)9)52-39-49(64-14)41-54(60(10,11)12)56(52)66-69-67-61(42-27-19-15-20-28-42,43-29-21-16-22-30-43)62(68-69,44-31-23-17-24-32-44)45-33-25-18-26-34-45/h15-41H,1-14H3
InChIKeyNXIFLXBDHJMIIB-UHFFFAOYSA-N
XLogP16.89
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.20
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (CID 175795609) is 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The canonical SMILES for 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The InChIKey is NXIFLXBDHJMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H69O6P/c1-57(2,3)46-35-47(58(4,5)6)37-50(36-46)65-55-51(38-48(63-13)40-53(55)59(7,8)9)52-39-49(64-14)41-54(60(10,11)12)56(52)66-69-67-61(42-27-19-15-20-28-42,43-29-21-16-22-30-43)62(68-69,44-31-23-17-24-32-44)45-33-25-18-26-34-45/h15-41H,1-14H3.
What are the key properties of 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane has a molecular weight of 941.20 g/mol, XLogP of 16.89, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-6-[3-tert-butyl-2-(3,5-ditert-butylphenoxy)-5-methoxyphenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 175795609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).