4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine

C25H24N2O2P2 — CID 71676353

IUPAC4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
SMILESCP(=O)(Nc1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O2P2/c1-30(28,23-11-5-2-6-12-23)26-21-17-19-22(20-18-21)27-31(29,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H,26,28)(H,27,29)
InChIKeyLTGDHKLJXXFJKV-UHFFFAOYSA-N
MW446.43 g/mol
LogP5.67
Rot. Bonds7

About 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine

4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine (PubChem CID 71676353) has the molecular formula C25H24N2O2P2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
PubChem CID71676353
Molecular FormulaC25H24N2O2P2
Molecular Weight446.43 g/mol
Exact Mass446.13
IUPAC Name4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine
SMILESCP(=O)(Nc1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H24N2O2P2/c1-30(28,23-11-5-2-6-12-23)26-21-17-19-22(20-18-21)27-31(29,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H,26,28)(H,27,29)
InChIKeyLTGDHKLJXXFJKV-UHFFFAOYSA-N
XLogP5.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
4-(diphenylphosphorylamino)phenol
CID 21072103
N-diphenylphosphoryl-4-(pyridin-4-ylmethyl)aniline
CID 17139379
5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid
CID 175183741
lithium [(diphenylphosphorylamino)-phenylphosphoryl]benzene
CID 59044615
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
N-diphenylphosphoryl-6-methylpyridin-2-amine
CID 832984
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
diphenylphosphorylbenzene;terbium
CID 86595283

Frequently Asked Questions

What is the IUPAC name of 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine?
The IUPAC name of 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine (CID 71676353) is 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine?
The canonical SMILES for 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine is CP(=O)(Nc1ccc(NP(=O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine?
The InChIKey is LTGDHKLJXXFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2P2/c1-30(28,23-11-5-2-6-12-23)26-21-17-19-22(20-18-21)27-31(29,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine?
4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine has a molecular weight of 446.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-diphenylphosphoryl-1-N-[methyl(phenyl)phosphoryl]benzene-1,4-diamine is sourced from PubChem (CID 71676353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).