N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine

C28H28NO2P — CID 10789278

IUPACN-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine
SMILESCCOP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NO2P/c1-2-31-32(30,27-21-13-6-14-22-27)23-29-28(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-22,29H,2,23H2,1H3
InChIKeyYEMJTRKYQIVQOS-UHFFFAOYSA-N
MW441.51 g/mol
LogP6.17
Rot. Bonds9

About N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine

N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine (PubChem CID 10789278) has the molecular formula C28H28NO2P and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine
PubChem CID10789278
Molecular FormulaC28H28NO2P
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC NameN-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine
SMILESCCOP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28NO2P/c1-2-31-32(30,27-21-13-6-14-22-27)23-29-28(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-22,29H,2,23H2,1H3
InChIKeyYEMJTRKYQIVQOS-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The IUPAC name of N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine (CID 10789278) is N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine.
What is the SMILES notation for N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The canonical SMILES for N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine is CCOP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
The InChIKey is YEMJTRKYQIVQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NO2P/c1-2-31-32(30,27-21-13-6-14-22-27)23-29-28(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-22,29H,2,23H2,1H3.
What are the key properties of N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine?
N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine has a molecular weight of 441.51 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethoxy(phenyl)phosphoryl]methyl]-1,1,1-triphenylmethanamine is sourced from PubChem (CID 10789278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).