4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C52H44N2O2 — CID 58607563

About 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 58607563) has the molecular formula C52H44N2O2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 58607563
• Molecular Formula: C52H44N2O2
• Molecular Weight: 728.94 g/mol
• Exact Mass: 728.34
• IUPAC Name: 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
• SMILES: COCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C52H44N2O2/c1-55-37-39-13-25-47(26-14-39)53(49-29-17-43(18-30-49)41-9-5-3-6-10-41)51-33-21-45(22-34-51)46-23-35-52(36-24-46)54(48-27-15-40(16-28-48)38-56-2)50-31-19-44(20-32-50)42-11-7-4-8-12-42/h3-36H,37-38H2,1-2H3
• InChIKey: YWKMCSKHNZDBRH-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.94
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 58607563) is 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline is COCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(COC)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is YWKMCSKHNZDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2O2/c1-55-37-39-13-25-47(26-14-39)53(49-29-17-43(18-30-49)41-9-5-3-6-10-41)51-33-21-45(22-34-51)46-23-35-52(36-24-46)54(48-27-15-40(16-28-48)38-56-2)50-31-19-44(20-32-50)42-11-7-4-8-12-42/h3-36H,37-38H2,1-2H3.

What are the key properties of 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline?

4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 728.94 g/mol, XLogP of 13.92, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 58607563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).