2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol

C39H50NOP — CID 88968948

IUPAC2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol
SMILESCCCCC(C)(Pc1ccccc1CN(c1ccccc1)c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C39H50NOP/c1-9-10-25-39(8,34-27-30(37(2,3)4)26-33(36(34)41)38(5,6)7)42-35-24-18-17-19-29(35)28-40(31-20-13-11-14-21-31)32-22-15-12-16-23-32/h11-24,26-27,41-42H,9-10,25,28H2,1-8H3
InChIKeyJFVLDSPHHVGJNJ-UHFFFAOYSA-N
MW579.81 g/mol
LogP10.73
Rot. Bonds10

About 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol

2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol (PubChem CID 88968948) has the molecular formula C39H50NOP and a molecular weight of 579.81 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol
PubChem CID88968948
Molecular FormulaC39H50NOP
Molecular Weight579.81 g/mol
Exact Mass579.36
IUPAC Name2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol
SMILESCCCCC(C)(Pc1ccccc1CN(c1ccccc1)c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C39H50NOP/c1-9-10-25-39(8,34-27-30(37(2,3)4)26-33(36(34)41)38(5,6)7)42-35-24-18-17-19-29(35)28-40(31-20-13-11-14-21-31)32-22-15-12-16-23-32/h11-24,26-27,41-42H,9-10,25,28H2,1-8H3
InChIKeyJFVLDSPHHVGJNJ-UHFFFAOYSA-N
XLogP10.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.81
LogP ≤ 510.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylheptan-2-yl]phenol
CID 89356596
2,4-ditert-butyl-6-[2-[2-methyl-6-[(propan-2-ylamino)methyl]phenyl]phosphanylhexan-2-yl]phenol
CID 88969322
4-tert-butyl-2-methyl-6-[2-[2-(1-sulfanylethyl)phenyl]phosphanylhexan-2-yl]phenol
CID 89214508
4-tert-butyl-2-(2,3-dimethylheptan-2-yl)-6-[2-[2-(1-hydroxyethyl)phenyl]phosphanylhexan-2-yl]phenol
CID 89214506
4-tert-butyl-2-(2,3-dimethylheptan-2-yl)-6-[2-[2-(1-sulfanylethyl)phenyl]phosphanylhexan-2-yl]phenol
CID 89214509
4-tert-butyl-2-[2-[2-[hydroxy(phenyl)methyl]phenyl]phosphanylheptan-2-yl]-6-methylphenol
CID 71191496
2,4-ditert-butyl-6-[2-[2-methyl-6-(methylaminomethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88969227
4-tert-butyl-2-(2,3-dimethylheptan-2-yl)-6-[2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylhexan-2-yl]phenol
CID 89214627
2,4-ditert-butyl-6-[2-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-2-yl]phenol
CID 89356376
2-[3-[2-(anilinomethyl)-4-methylphenyl]phosphanyloctan-3-yl]-4,6-ditert-butylphenol
CID 89356307
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
CID 89214353
2-[2-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]hexan-2-ylphosphanyl]-N,N-dimethylaniline
CID 89214527

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol (CID 88968948) is 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol is CCCCC(C)(Pc1ccccc1CN(c1ccccc1)c1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol?
The InChIKey is JFVLDSPHHVGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50NOP/c1-9-10-25-39(8,34-27-30(37(2,3)4)26-33(36(34)41)38(5,6)7)42-35-24-18-17-19-29(35)28-40(31-20-13-11-14-21-31)32-22-15-12-16-23-32/h11-24,26-27,41-42H,9-10,25,28H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol?
2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol has a molecular weight of 579.81 g/mol, XLogP of 10.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-[2-[(N-phenylanilino)methyl]phenyl]phosphanylhexan-2-yl]phenol is sourced from PubChem (CID 88968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).