[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane

C38H57O3P — CID 66803662

IUPAC[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(O)(O)(O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C38H57O3P/c1-34(2,3)25-17-20-32(29(22-25)28-19-16-26(35(4,5)6)23-30(28)37(10,11)12)42(39,40,41)33-21-18-27(36(7,8)9)24-31(33)38(13,14)15/h16-24,39-41H,1-15H3
InChIKeyWLGDKIXHNYWITM-UHFFFAOYSA-N
MW592.85 g/mol
LogP9.07
Rot. Bonds3

About [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane

[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane (PubChem CID 66803662) has the molecular formula C38H57O3P and a molecular weight of 592.85 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
PubChem CID66803662
Molecular FormulaC38H57O3P
Molecular Weight592.85 g/mol
Exact Mass592.40
IUPAC Name[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane
SMILESCC(C)(C)c1ccc(P(O)(O)(O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C38H57O3P/c1-34(2,3)25-17-20-32(29(22-25)28-19-16-26(35(4,5)6)23-30(28)37(10,11)12)42(39,40,41)33-21-18-27(36(7,8)9)24-31(33)38(13,14)15/h16-24,39-41H,1-15H3
InChIKeyWLGDKIXHNYWITM-UHFFFAOYSA-N
XLogP9.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.85
LogP ≤ 59.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane?
The IUPAC name of [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane (CID 66803662) is [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane.
What is the SMILES notation for [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane?
The canonical SMILES for [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane is CC(C)(C)c1ccc(P(O)(O)(O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(-c2ccc(C(C)(C)C)cc2C(C)(C)C)c1.
What is the InChIKey of [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane?
The InChIKey is WLGDKIXHNYWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H57O3P/c1-34(2,3)25-17-20-32(29(22-25)28-19-16-26(35(4,5)6)23-30(28)37(10,11)12)42(39,40,41)33-21-18-27(36(7,8)9)24-31(33)38(13,14)15/h16-24,39-41H,1-15H3.
What are the key properties of [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane?
[4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane has a molecular weight of 592.85 g/mol, XLogP of 9.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,4-ditert-butylphenyl)phenyl]-(2,4-ditert-butylphenyl)-trihydroxy-λ5-phosphane is sourced from PubChem (CID 66803662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).