4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline

C27H32N5O4P — CID 15438483

IUPAC4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C27H32N5O4P/c1-29(24-5-3-2-4-6-24)25-11-13-27(14-12-25)37(30-15-19-35-20-16-30,31-17-21-36-22-18-31)28-23-7-9-26(10-8-23)32(33)34/h2-14H,15-22H2,1H3
InChIKeyMFTABZZPNWEOGB-UHFFFAOYSA-N
MW521.56 g/mol
LogP5.02
Rot. Bonds7

About 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline

4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline (PubChem CID 15438483) has the molecular formula C27H32N5O4P and a molecular weight of 521.56 g/mol. Its IUPAC name is 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline
PubChem CID15438483
Molecular FormulaC27H32N5O4P
Molecular Weight521.56 g/mol
Exact Mass521.22
IUPAC Name4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C27H32N5O4P/c1-29(24-5-3-2-4-6-24)25-11-13-27(14-12-25)37(30-15-19-35-20-16-30,31-17-21-36-22-18-31)28-23-7-9-26(10-8-23)32(33)34/h2-14H,15-22H2,1H3
InChIKeyMFTABZZPNWEOGB-UHFFFAOYSA-N
XLogP5.02
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.56
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline (CID 15438483) is 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline?
The InChIKey is MFTABZZPNWEOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N5O4P/c1-29(24-5-3-2-4-6-24)25-11-13-27(14-12-25)37(30-15-19-35-20-16-30,31-17-21-36-22-18-31)28-23-7-9-26(10-8-23)32(33)34/h2-14H,15-22H2,1H3.
What are the key properties of 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline?
4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline has a molecular weight of 521.56 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimorpholin-4-yl-(4-nitrophenyl)imino-λ5-phosphanyl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 15438483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).