4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C52H56N2O4 — CID 126624960

About 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline

4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 126624960) has the molecular formula C52H56N2O4 and a molecular weight of 773.03 g/mol. Its IUPAC name is 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
• PubChem CID: 126624960
• Molecular Formula: C52H56N2O4
• Molecular Weight: 773.03 g/mol
• Exact Mass: 772.42
• IUPAC Name: 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
• SMILES: CCC1(CCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1
• InChI: InChI=1S/C52H56N2O4/c1-3-51(37-57-38-51)31-33-55-35-41-15-23-47(24-16-41)53(45-11-7-5-8-12-45)49-27-19-43(20-28-49)44-21-29-50(30-22-44)54(46-13-9-6-10-14-46)48-25-17-42(18-26-48)36-56-34-32-52(4-2)39-58-40-52/h5-30H,3-4,31-40H2,1-2H3
• InChIKey: JEKKMSLXYQILBL-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.03
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The IUPAC name of 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 126624960) is 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

What is the SMILES notation for 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The canonical SMILES for 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is CCC1(CCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(COCCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1.

What is the InChIKey of 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

The InChIKey is JEKKMSLXYQILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56N2O4/c1-3-51(37-57-38-51)31-33-55-35-41-15-23-47(24-16-41)53(45-11-7-5-8-12-45)49-27-19-43(20-28-49)44-21-29-50(30-22-44)54(46-13-9-6-10-14-46)48-25-17-42(18-26-48)36-56-34-32-52(4-2)39-58-40-52/h5-30H,3-4,31-40H2,1-2H3.

What are the key properties of 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline?

4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 773.03 g/mol, XLogP of 12.96, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]-N-[4-[4-(N-[4-[2-(3-ethyloxetan-3-yl)ethoxymethyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 126624960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).