bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite

C34H47O3P — CID 54014526

IUPACbis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(OP(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C34H47O3P/c1-31(2,3)24-21-22-27(34(10,11)12)30(23-24)37-38(35-28-19-15-13-17-25(28)32(4,5)6)36-29-20-16-14-18-26(29)33(7,8)9/h13-23H,1-12H3
InChIKeyKURKVHNXHQPPSM-UHFFFAOYSA-N
MW534.72 g/mol
LogP10.64
Rot. Bonds6

About bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite

bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite (PubChem CID 54014526) has the molecular formula C34H47O3P and a molecular weight of 534.72 g/mol. Its IUPAC name is bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite.

Molecular Properties

Compound Namebis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
PubChem CID54014526
Molecular FormulaC34H47O3P
Molecular Weight534.72 g/mol
Exact Mass534.33
IUPAC Namebis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(OP(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C34H47O3P/c1-31(2,3)24-21-22-27(34(10,11)12)30(23-24)37-38(35-28-19-15-13-17-25(28)32(4,5)6)36-29-20-16-14-18-26(29)33(7,8)9/h13-23H,1-12H3
InChIKeyKURKVHNXHQPPSM-UHFFFAOYSA-N
XLogP10.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 510.64
H-Bond Donors ≤ 50
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 bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite?
The IUPAC name of bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite (CID 54014526) is bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite.
What is the SMILES notation for bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite?
The canonical SMILES for bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite is CC(C)(C)c1ccc(C(C)(C)C)c(OP(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite?
The InChIKey is KURKVHNXHQPPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47O3P/c1-31(2,3)24-21-22-27(34(10,11)12)30(23-24)37-38(35-28-19-15-13-17-25(28)32(4,5)6)36-29-20-16-14-18-26(29)33(7,8)9/h13-23H,1-12H3.
What are the key properties of bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite?
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite has a molecular weight of 534.72 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite is sourced from PubChem (CID 54014526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).