(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane

C33H52NOP — CID 2784577

IUPAC(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane
SMILESCc1cc(C(C)(C)C)c(O/P=N/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C33H52NOP/c1-21-17-25(32(11,12)13)28(26(18-21)33(14,15)16)35-36-34-27-23(30(5,6)7)19-22(29(2,3)4)20-24(27)31(8,9)10/h17-20H,1-16H3
InChIKeyIVTPVYXXAMTSAX-UHFFFAOYSA-N
MW509.76 g/mol
LogP11.24
Rot. Bonds3

About (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane

(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane (PubChem CID 2784577) has the molecular formula C33H52NOP and a molecular weight of 509.76 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane
PubChem CID2784577
Molecular FormulaC33H52NOP
Molecular Weight509.76 g/mol
Exact Mass509.38
IUPAC Name(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane
SMILESCc1cc(C(C)(C)C)c(O/P=N/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C33H52NOP/c1-21-17-25(32(11,12)13)28(26(18-21)33(14,15)16)35-36-34-27-23(30(5,6)7)19-22(29(2,3)4)20-24(27)31(8,9)10/h17-20H,1-16H3
InChIKeyIVTPVYXXAMTSAX-UHFFFAOYSA-N
XLogP11.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane?
The IUPAC name of (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane (CID 2784577) is (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane.
What is the SMILES notation for (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane?
The canonical SMILES for (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane is Cc1cc(C(C)(C)C)c(O/P=N/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane?
The InChIKey is IVTPVYXXAMTSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52NOP/c1-21-17-25(32(11,12)13)28(26(18-21)33(14,15)16)35-36-34-27-23(30(5,6)7)19-22(29(2,3)4)20-24(27)31(8,9)10/h17-20H,1-16H3.
What are the key properties of (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane?
(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane has a molecular weight of 509.76 g/mol, XLogP of 11.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane is sourced from PubChem (CID 2784577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).