4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline

C41H38N2O4 — CID 18996741

About 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline

4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline (PubChem CID 18996741) has the molecular formula C41H38N2O4 and a molecular weight of 622.76 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
• PubChem CID: 18996741
• Molecular Formula: C41H38N2O4
• Molecular Weight: 622.76 g/mol
• Exact Mass: 622.28
• IUPAC Name: 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
• SMILES: COc1ccc(N(c2ccccc2)c2ccc(OCCCOc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C41H38N2O4/c1-44-38-22-14-34(15-23-38)42(32-10-5-3-6-11-32)36-18-26-40(27-19-36)46-30-9-31-47-41-28-20-37(21-29-41)43(33-12-7-4-8-13-33)35-16-24-39(45-2)25-17-35/h3-8,10-29H,9,30-31H2,1-2H3
• InChIKey: PLOKQDTXEKRQQZ-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.76
LogP ≤ 5	10.49
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-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline?

The IUPAC name of 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline (CID 18996741) is 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline.

What is the SMILES notation for 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline?

The canonical SMILES for 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(OCCCOc3ccc(N(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline?

The InChIKey is PLOKQDTXEKRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2O4/c1-44-38-22-14-34(15-23-38)42(32-10-5-3-6-11-32)36-18-26-40(27-19-36)46-30-9-31-47-41-28-20-37(21-29-41)43(33-12-7-4-8-13-33)35-16-24-39(45-2)25-17-35/h3-8,10-29H,9,30-31H2,1-2H3.

What are the key properties of 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline?

4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline has a molecular weight of 622.76 g/mol, XLogP of 10.49, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline is sourced from PubChem (CID 18996741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).