N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine

C36H32NO2P — CID 146157929

IUPACN-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine
SMILESCC(c1ccccc1)N(C(C)c1ccccc1)P(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C36H32NO2P/c1-27(29-13-5-3-6-14-29)37(28(2)30-15-7-4-8-16-30)40(38-35-23-21-31-17-9-11-19-33(31)25-35)39-36-24-22-32-18-10-12-20-34(32)26-36/h3-28H,1-2H3
InChIKeyXMBVJQDRKUGFOF-UHFFFAOYSA-N
MW541.63 g/mol
LogP10.50
Rot. Bonds9

About N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine

N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine (PubChem CID 146157929) has the molecular formula C36H32NO2P and a molecular weight of 541.63 g/mol. Its IUPAC name is N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine.

Molecular Properties

Compound NameN-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine
PubChem CID146157929
Molecular FormulaC36H32NO2P
Molecular Weight541.63 g/mol
Exact Mass541.22
IUPAC NameN-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine
SMILESCC(c1ccccc1)N(C(C)c1ccccc1)P(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1
InChIInChI=1S/C36H32NO2P/c1-27(29-13-5-3-6-14-29)37(28(2)30-15-7-4-8-16-30)40(38-35-23-21-31-17-9-11-19-33(31)25-35)39-36-24-22-32-18-10-12-20-34(32)26-36/h3-28H,1-2H3
InChIKeyXMBVJQDRKUGFOF-UHFFFAOYSA-N
XLogP10.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.63
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine?
The IUPAC name of N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine (CID 146157929) is N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine.
What is the SMILES notation for N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine?
The canonical SMILES for N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine is CC(c1ccccc1)N(C(C)c1ccccc1)P(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1.
What is the InChIKey of N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine?
The InChIKey is XMBVJQDRKUGFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32NO2P/c1-27(29-13-5-3-6-14-29)37(28(2)30-15-7-4-8-16-30)40(38-35-23-21-31-17-9-11-19-33(31)25-35)39-36-24-22-32-18-10-12-20-34(32)26-36/h3-28H,1-2H3.
What are the key properties of N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine?
N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine has a molecular weight of 541.63 g/mol, XLogP of 10.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dinaphthalen-2-yloxyphosphanyl-1-phenyl-N-(1-phenylethyl)ethanamine is sourced from PubChem (CID 146157929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).