2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline

C30H48NOP — CID 171785277

IUPAC2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2C(C)(C)C)P(C)(C)=O)c(C(C)(C)C)c1
InChIInChI=1S/C30H48NOP/c1-27(2,3)21-15-17-25(23(19-21)29(7,8)9)31(33(13,14)32)26-18-16-22(28(4,5)6)20-24(26)30(10,11)12/h15-20H,1-14H3
InChIKeySQAWUQLVNWHKMQ-UHFFFAOYSA-N
MW469.69 g/mol
LogP9.55
Rot. Bonds3

About 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline

2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline (PubChem CID 171785277) has the molecular formula C30H48NOP and a molecular weight of 469.69 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline.

Molecular Properties

Compound Name2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline
PubChem CID171785277
Molecular FormulaC30H48NOP
Molecular Weight469.69 g/mol
Exact Mass469.35
IUPAC Name2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2C(C)(C)C)P(C)(C)=O)c(C(C)(C)C)c1
InChIInChI=1S/C30H48NOP/c1-27(2,3)21-15-17-25(23(19-21)29(7,8)9)31(33(13,14)32)26-18-16-22(28(4,5)6)20-24(26)30(10,11)12/h15-20H,1-14H3
InChIKeySQAWUQLVNWHKMQ-UHFFFAOYSA-N
XLogP9.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.69
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-ditert-butylphenyl)-N-methylacetamide
CID 517590
N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline
CID 170193377
2-(2,4-ditert-butyl-N-methylanilino)ethyl-trimethylazanium
CID 59709288
N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline
CID 163814484
(2,4-ditert-butylphenyl) dihydrogen phosphate;hydrate
CID 172684723
sodium bis(2,4-ditert-butylphenoxy) phosphate
CID 141264993
bis(2,4-ditert-butylphenyl) sulfanyl phosphate
CID 173040283
tris(3,4-ditert-butylphenyl)methanol
CID 155667847
sodium 2,4-ditert-butylphenolate
CID 23662446
lithium;bis(2,4-ditert-butylphenyl)methyl dihydrogen phosphate;hydride
CID 173031664
CID 143036156
CID 143036156
(2,4-ditert-butylphenoxy)-methylphosphane
CID 23594675

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline?
The IUPAC name of 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline (CID 171785277) is 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline.
What is the SMILES notation for 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline?
The canonical SMILES for 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2C(C)(C)C)P(C)(C)=O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline?
The InChIKey is SQAWUQLVNWHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48NOP/c1-27(2,3)21-15-17-25(23(19-21)29(7,8)9)31(33(13,14)32)26-18-16-22(28(4,5)6)20-24(26)30(10,11)12/h15-20H,1-14H3.
What are the key properties of 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline?
2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline has a molecular weight of 469.69 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-(2,4-ditert-butylphenyl)-N-dimethylphosphorylaniline is sourced from PubChem (CID 171785277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).