N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine

C43H43N2O2P — CID 22751835

IUPACN-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine
SMILESCC(C)(c1ccccc1)c1ccccc1OP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C43H43N2O2P/c1-43(2,40-28-16-7-17-29-40)41-30-18-19-31-42(41)47-48(46,44(32-36-20-8-3-9-21-36)33-37-22-10-4-11-23-37)45(34-38-24-12-5-13-25-38)35-39-26-14-6-15-27-39/h3-31H,32-35H2,1-2H3
InChIKeyZPGYEPNMDUZBPX-UHFFFAOYSA-N
MW650.80 g/mol
LogP10.90
Rot. Bonds14

About N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine

N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine (PubChem CID 22751835) has the molecular formula C43H43N2O2P and a molecular weight of 650.80 g/mol. Its IUPAC name is N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine
PubChem CID22751835
Molecular FormulaC43H43N2O2P
Molecular Weight650.80 g/mol
Exact Mass650.31
IUPAC NameN-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine
SMILESCC(C)(c1ccccc1)c1ccccc1OP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C43H43N2O2P/c1-43(2,40-28-16-7-17-29-40)41-30-18-19-31-42(41)47-48(46,44(32-36-20-8-3-9-21-36)33-37-22-10-4-11-23-37)45(34-38-24-12-5-13-25-38)35-39-26-14-6-15-27-39/h3-31H,32-35H2,1-2H3
InChIKeyZPGYEPNMDUZBPX-UHFFFAOYSA-N
XLogP10.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.80
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine (CID 22751835) is N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine is CC(C)(c1ccccc1)c1ccccc1OP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine?
The InChIKey is ZPGYEPNMDUZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N2O2P/c1-43(2,40-28-16-7-17-29-40)41-30-18-19-31-42(41)47-48(46,44(32-36-20-8-3-9-21-36)33-37-22-10-4-11-23-37)45(34-38-24-12-5-13-25-38)35-39-26-14-6-15-27-39/h3-31H,32-35H2,1-2H3.
What are the key properties of N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine?
N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine has a molecular weight of 650.80 g/mol, XLogP of 10.90, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(dibenzylamino)-[2-(2-phenylpropan-2-yl)phenoxy]phosphoryl]-1-phenylmethanamine is sourced from PubChem (CID 22751835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).