[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite

C56H66O10P2 — CID 11062032

IUPAC[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C56H66O10P2/c1-53(2,3)45-31-37(57-13)27-41(49(45)63-67(61-35-23-19-17-20-24-35)62-36-25-21-18-22-26-36)42-28-38(58-14)32-46(54(4,5)6)50(42)64-68-65-51-43(29-39(59-15)33-47(51)55(7,8)9)44-30-40(60-16)34-48(52(44)66-68)56(10,11)12/h17-34H,1-16H3
InChIKeyOQWHAQTVXBHIAE-UHFFFAOYSA-N
MW961.08 g/mol
LogP16.79
Rot. Bonds13

About [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite

[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite (PubChem CID 11062032) has the molecular formula C56H66O10P2 and a molecular weight of 961.08 g/mol. Its IUPAC name is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite.

Molecular Properties

Compound Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite
PubChem CID11062032
Molecular FormulaC56H66O10P2
Molecular Weight961.08 g/mol
Exact Mass960.41
IUPAC Name[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)c(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C56H66O10P2/c1-53(2,3)45-31-37(57-13)27-41(49(45)63-67(61-35-23-19-17-20-24-35)62-36-25-21-18-22-26-36)42-28-38(58-14)32-46(54(4,5)6)50(42)64-68-65-51-43(29-39(59-15)33-47(51)55(7,8)9)44-30-40(60-16)34-48(52(44)66-68)56(10,11)12/h17-34H,1-16H3
InChIKeyOQWHAQTVXBHIAE-UHFFFAOYSA-N
XLogP16.79
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.08
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite?
The IUPAC name of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite (CID 11062032) is [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite.
What is the SMILES notation for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite?
The canonical SMILES for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite 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(OP(Oc2ccccc2)Oc2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite?
The InChIKey is OQWHAQTVXBHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66O10P2/c1-53(2,3)45-31-37(57-13)27-41(49(45)63-67(61-35-23-19-17-20-24-35)62-36-25-21-18-22-26-36)42-28-38(58-14)32-46(54(4,5)6)50(42)64-68-65-51-43(29-39(59-15)33-47(51)55(7,8)9)44-30-40(60-16)34-48(52(44)66-68)56(10,11)12/h17-34H,1-16H3.
What are the key properties of [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite?
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite has a molecular weight of 961.08 g/mol, XLogP of 16.79, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite is sourced from PubChem (CID 11062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).