3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine

C41H68N2O4P2 — CID 14228118

IUPAC3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(OP3OCCN3C(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OP1OCCN1C(C)(C)C
InChIInChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(25-31(37(4,5)6)34(30)46-48-42(19-21-44-48)40(13,14)15)23-29-26-32(38(7,8)9)35(33(27-29)39(10,11)12)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3
InChIKeyNHQMDWJUZACRCS-UHFFFAOYSA-N
MW714.95 g/mol
LogP11.94
Rot. Bonds6

About 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine

3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine (PubChem CID 14228118) has the molecular formula C41H68N2O4P2 and a molecular weight of 714.95 g/mol. Its IUPAC name is 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
PubChem CID14228118
Molecular FormulaC41H68N2O4P2
Molecular Weight714.95 g/mol
Exact Mass714.47
IUPAC Name3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine
SMILESCC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(OP3OCCN3C(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OP1OCCN1C(C)(C)C
InChIInChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(25-31(37(4,5)6)34(30)46-48-42(19-21-44-48)40(13,14)15)23-29-26-32(38(7,8)9)35(33(27-29)39(10,11)12)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3
InChIKeyNHQMDWJUZACRCS-UHFFFAOYSA-N
XLogP11.94
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.95
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine?
The IUPAC name of 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine (CID 14228118) is 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine.
What is the SMILES notation for 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine?
The canonical SMILES for 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine is CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(OP3OCCN3C(C)(C)C)c(C(C)(C)C)c2)cc(C(C)(C)C)c1OP1OCCN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine?
The InChIKey is NHQMDWJUZACRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68N2O4P2/c1-36(2,3)30-24-28(25-31(37(4,5)6)34(30)46-48-42(19-21-44-48)40(13,14)15)23-29-26-32(38(7,8)9)35(33(27-29)39(10,11)12)47-49-43(20-22-45-49)41(16,17)18/h24-27H,19-23H2,1-18H3.
What are the key properties of 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine?
3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine has a molecular weight of 714.95 g/mol, XLogP of 11.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-[2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(3-tert-butyl-1,3,2-oxazaphospholidin-2-yl)oxy]phenyl]methyl]phenoxy]-1,3,2-oxazaphospholidine is sourced from PubChem (CID 14228118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).