6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

C56H64O10P2 — CID 11083567

IUPAC6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-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(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1
InChIInChI=1S/C56H64O10P2/c1-53(2,3)43-29-33(57-13)25-39(49(43)63-67-61-47-23-19-17-21-37(47)38-22-18-20-24-48(38)62-67)40-26-34(58-14)30-44(54(4,5)6)50(40)64-68-65-51-41(27-35(59-15)31-45(51)55(7,8)9)42-28-36(60-16)32-46(52(42)66-68)56(10,11)12/h17-32H,1-16H3
InChIKeyWWFFUQPKCNNOPK-UHFFFAOYSA-N
MW959.07 g/mol
LogP17.47
Rot. Bonds9

About 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 11083567) has the molecular formula C56H64O10P2 and a molecular weight of 959.07 g/mol. Its IUPAC name is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID11083567
Molecular FormulaC56H64O10P2
Molecular Weight959.07 g/mol
Exact Mass958.40
IUPAC Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-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(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1
InChIInChI=1S/C56H64O10P2/c1-53(2,3)43-29-33(57-13)25-39(49(43)63-67-61-47-23-19-17-21-37(47)38-22-18-20-24-48(38)62-67)40-26-34(58-14)30-44(54(4,5)6)50(40)64-68-65-51-41(27-35(59-15)31-45(51)55(7,8)9)42-28-36(60-16)32-46(52(42)66-68)56(10,11)12/h17-32H,1-16H3
InChIKeyWWFFUQPKCNNOPK-UHFFFAOYSA-N
XLogP17.47
TPSA107.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.07
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (CID 11083567) is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-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(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1.
What is the InChIKey of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is WWFFUQPKCNNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64O10P2/c1-53(2,3)43-29-33(57-13)25-39(49(43)63-67-61-47-23-19-17-21-37(47)38-22-18-20-24-48(38)62-67)40-26-34(58-14)30-44(54(4,5)6)50(40)64-68-65-51-41(27-35(59-15)31-45(51)55(7,8)9)42-28-36(60-16)32-46(52(42)66-68)56(10,11)12/h17-32H,1-16H3.
What are the key properties of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 959.07 g/mol, XLogP of 17.47, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]-4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 11083567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).