[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane

C38H50N2O4P2 — CID 21130844

IUPAC[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2cccnc2)c(OPOc2cccnc2)c(C(C)(C)C)c1
InChIInChI=1S/C38H50N2O4P2/c1-35(2,3)25-19-29(33(31(21-25)37(7,8)9)43-45-41-27-15-13-17-39-23-27)30-20-26(36(4,5)6)22-32(38(10,11)12)34(30)44-46-42-28-16-14-18-40-24-28/h13-24,45-46H,1-12H3
InChIKeyPKDVPSPPWZBORS-UHFFFAOYSA-N
MW660.78 g/mol
LogP11.27
Rot. Bonds9

About [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane

[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane (PubChem CID 21130844) has the molecular formula C38H50N2O4P2 and a molecular weight of 660.78 g/mol. Its IUPAC name is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane.

Molecular Properties

Compound Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane
PubChem CID21130844
Molecular FormulaC38H50N2O4P2
Molecular Weight660.78 g/mol
Exact Mass660.32
IUPAC Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2cccnc2)c(OPOc2cccnc2)c(C(C)(C)C)c1
InChIInChI=1S/C38H50N2O4P2/c1-35(2,3)25-19-29(33(31(21-25)37(7,8)9)43-45-41-27-15-13-17-39-23-27)30-20-26(36(4,5)6)22-32(38(10,11)12)34(30)44-46-42-28-16-14-18-40-24-28/h13-24,45-46H,1-12H3
InChIKeyPKDVPSPPWZBORS-UHFFFAOYSA-N
XLogP11.27
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane?
The IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane (CID 21130844) is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane.
What is the SMILES notation for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane?
The canonical SMILES for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2cccnc2)c(OPOc2cccnc2)c(C(C)(C)C)c1.
What is the InChIKey of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane?
The InChIKey is PKDVPSPPWZBORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N2O4P2/c1-35(2,3)25-19-29(33(31(21-25)37(7,8)9)43-45-41-27-15-13-17-39-23-27)30-20-26(36(4,5)6)22-32(38(10,11)12)34(30)44-46-42-28-16-14-18-40-24-28/h13-24,45-46H,1-12H3.
What are the key properties of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane?
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane has a molecular weight of 660.78 g/mol, XLogP of 11.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane is sourced from PubChem (CID 21130844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).