N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline

C24H28NOP — CID 102170611

IUPACN-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NOP/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-27(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,25,26)
InChIKeyGRCCZYJRVXTABI-UHFFFAOYSA-N
MW377.47 g/mol
LogP6.27
Rot. Bonds6

About N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline

N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline (PubChem CID 102170611) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
PubChem CID102170611
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC NameN-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NOP/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-27(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,25,26)
InChIKeyGRCCZYJRVXTABI-UHFFFAOYSA-N
XLogP6.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426
N-[inden-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
CID 102453149
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
CID 44633938
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-[diphenyl-(4,4,6,6-tetramethyl-5H-pentalen-2-ylidene)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline
CID 58140371
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
CID 71676353
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline (CID 102170611) is N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline?
The InChIKey is GRCCZYJRVXTABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-18(2)22-16-11-17-23(19(3)4)24(22)25-27(26,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,25,26).
What are the key properties of N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline?
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline has a molecular weight of 377.47 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102170611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).