4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

C59H77O10P — CID 59889718

IUPAC4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OC2Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1
InChIInChI=1S/C59H77O10P/c1-54(2,3)33-23-42(55(4,5)6)52-47(24-33)64-53(66-52)65-48-38(25-34(60-19)29-43(48)56(7,8)9)39-26-35(61-20)30-44(57(10,11)12)49(39)67-70-68-50-40(27-36(62-21)31-45(50)58(13,14)15)41-28-37(63-22)32-46(51(41)69-70)59(16,17)18/h23-32,53H,1-22H3
InChIKeyFOOYNSJJWOWTBC-UHFFFAOYSA-N
MW977.23 g/mol
LogP16.75
Rot. Bonds9

About 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 59889718) has the molecular formula C59H77O10P and a molecular weight of 977.23 g/mol. Its IUPAC name is 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID59889718
Molecular FormulaC59H77O10P
Molecular Weight977.23 g/mol
Exact Mass976.53
IUPAC Name4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OC2Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1
InChIInChI=1S/C59H77O10P/c1-54(2,3)33-23-42(55(4,5)6)52-47(24-33)64-53(66-52)65-48-38(25-34(60-19)29-43(48)56(7,8)9)39-26-35(61-20)30-44(57(10,11)12)49(39)67-70-68-50-40(27-36(62-21)31-45(50)58(13,14)15)41-28-37(63-22)32-46(51(41)69-70)59(16,17)18/h23-32,53H,1-22H3
InChIKeyFOOYNSJJWOWTBC-UHFFFAOYSA-N
XLogP16.75
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.23
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (CID 59889718) is 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OC2Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c(C(C)(C)C)c1.
What is the InChIKey of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is FOOYNSJJWOWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H77O10P/c1-54(2,3)33-23-42(55(4,5)6)52-47(24-33)64-53(66-52)65-48-38(25-34(60-19)29-43(48)56(7,8)9)39-26-35(61-20)30-44(57(10,11)12)49(39)67-70-68-50-40(27-36(62-21)31-45(50)58(13,14)15)41-28-37(63-22)32-46(51(41)69-70)59(16,17)18/h23-32,53H,1-22H3.
What are the key properties of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 977.23 g/mol, XLogP of 16.75, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 59889718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).