N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline

C26H25NP2 — CID 141346451

IUPACN-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline
SMILESc1ccc(NCC(Pc2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25NP2/c1-5-13-22(14-6-1)27-21-26(28-23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2
InChIKeyXPEICROWSSEWGX-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.56
Rot. Bonds8

About N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline

N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline (PubChem CID 141346451) has the molecular formula C26H25NP2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline.

Molecular Properties

Compound NameN-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline
PubChem CID141346451
Molecular FormulaC26H25NP2
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline
SMILESc1ccc(NCC(Pc2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25NP2/c1-5-13-22(14-6-1)27-21-26(28-23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2
InChIKeyXPEICROWSSEWGX-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.56
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

diphenyl(1-phenylphosphanylpropyl)phosphane
CID 173220506
[2-(2-fluorophenyl)-1-phenylphosphanylethyl]-diphenylphosphane
CID 87557108
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
N-(2-bromopropyl)aniline
CID 13183607
1-amino-2-anilinoethanol
CID 54286676
1-anilino-3-chloropropan-2-ol
CID 3640254
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
3-anilinopropane-1,2-dithiol
CID 71362125
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
N-(2-methylsulfanylpropyl)aniline
CID 62582287

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline?
The IUPAC name of N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline (CID 141346451) is N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline.
What is the SMILES notation for N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline?
The canonical SMILES for N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline is c1ccc(NCC(Pc2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline?
The InChIKey is XPEICROWSSEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NP2/c1-5-13-22(14-6-1)27-21-26(28-23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-28H,21H2.
What are the key properties of N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline?
N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline has a molecular weight of 413.44 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanyl-2-phenylphosphanylethyl)aniline is sourced from PubChem (CID 141346451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).