4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline

C28H28N2O — CID 54178939

IUPAC4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C28H28N2O/c1-3-31-19-18-30(2)26-16-14-22(15-17-26)25-20-27(23-10-6-4-7-11-23)29-28(21-25)24-12-8-5-9-13-24/h4-17,20-21H,3,18-19H2,1-2H3
InChIKeyPAKRMAOYAFZCQA-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.56
Rot. Bonds8

About 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline

4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline (PubChem CID 54178939) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline
PubChem CID54178939
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline
SMILESCCOCCN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C28H28N2O/c1-3-31-19-18-30(2)26-16-14-22(15-17-26)25-20-27(23-10-6-4-7-11-23)29-28(21-25)24-12-8-5-9-13-24/h4-17,20-21H,3,18-19H2,1-2H3
InChIKeyPAKRMAOYAFZCQA-UHFFFAOYSA-N
XLogP6.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline?
The IUPAC name of 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline (CID 54178939) is 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline.
What is the SMILES notation for 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline?
The canonical SMILES for 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline is CCOCCN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline?
The InChIKey is PAKRMAOYAFZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-3-31-19-18-30(2)26-16-14-22(15-17-26)25-20-27(23-10-6-4-7-11-23)29-28(21-25)24-12-8-5-9-13-24/h4-17,20-21H,3,18-19H2,1-2H3.
What are the key properties of 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline?
4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline has a molecular weight of 408.55 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-4-pyridinyl)-N-(2-ethoxyethyl)-N-methylaniline is sourced from PubChem (CID 54178939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).