N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine

C27H28N2O2P2 — CID 71133330

IUPACN,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine
SMILESCN(CN(C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2P2/c1-28(32(30,24-15-7-3-8-16-24)25-17-9-4-10-18-25)23-29(2)33(31,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,23H2,1-2H3
InChIKeyWXRAPNAJVGBFOQ-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.67
Rot. Bonds8

About N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine

N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine (PubChem CID 71133330) has the molecular formula C27H28N2O2P2 and a molecular weight of 474.48 g/mol. Its IUPAC name is N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine
PubChem CID71133330
Molecular FormulaC27H28N2O2P2
Molecular Weight474.48 g/mol
Exact Mass474.16
IUPAC NameN,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine
SMILESCN(CN(C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2P2/c1-28(32(30,24-15-7-3-8-16-24)25-17-9-4-10-18-25)23-29(2)33(31,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,23H2,1-2H3
InChIKeyWXRAPNAJVGBFOQ-UHFFFAOYSA-N
XLogP4.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine?
The IUPAC name of N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine (CID 71133330) is N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine is CN(CN(C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine?
The InChIKey is WXRAPNAJVGBFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2P2/c1-28(32(30,24-15-7-3-8-16-24)25-17-9-4-10-18-25)23-29(2)33(31,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,23H2,1-2H3.
What are the key properties of N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine?
N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine has a molecular weight of 474.48 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(diphenylphosphoryl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 71133330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).