N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline

C24H21N2OP — CID 17139379

IUPACN-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline
SMILESO=P(Nc1ccc(Cc2ccncc2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N2OP/c27-28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-22-13-11-20(12-14-22)19-21-15-17-25-18-16-21/h1-18H,19H2,(H,26,27)
InChIKeyXERAEWRQILVYQV-UHFFFAOYSA-N
MW384.42 g/mol
LogP5.01
Rot. Bonds6

About N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline

N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline (PubChem CID 17139379) has the molecular formula C24H21N2OP and a molecular weight of 384.42 g/mol. Its IUPAC name is N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline
PubChem CID17139379
Molecular FormulaC24H21N2OP
Molecular Weight384.42 g/mol
Exact Mass384.14
IUPAC NameN-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline
SMILESO=P(Nc1ccc(Cc2ccncc2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N2OP/c27-28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-22-13-11-20(12-14-22)19-21-15-17-25-18-16-21/h1-18H,19H2,(H,26,27)
InChIKeyXERAEWRQILVYQV-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 55.01
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

4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
4-(diphenylphosphorylamino)phenol
CID 21072103
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-2-amine
CID 82535700
4-[4-(pyridin-4-ylmethyl)anilino]benzoic acid
CID 110452968
4-(4-benzylphenyl)pyridine
CID 174553937
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
4-[(4-iodophenyl)methyl]pyridine
CID 14743030
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline?
The IUPAC name of N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline (CID 17139379) is N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline is O=P(Nc1ccc(Cc2ccncc2)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline?
The InChIKey is XERAEWRQILVYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2OP/c27-28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)26-22-13-11-20(12-14-22)19-21-15-17-25-18-16-21/h1-18H,19H2,(H,26,27).
What are the key properties of N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline?
N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline has a molecular weight of 384.42 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 17139379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).