2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate

C80H72N2O8 — CID 89417418

About 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate

2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate (PubChem CID 89417418) has the molecular formula C80H72N2O8 and a molecular weight of 1189.46 g/mol. Its IUPAC name is 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate.

Molecular Properties

• Compound Name: 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
• PubChem CID: 89417418
• Molecular Formula: C80H72N2O8
• Molecular Weight: 1189.46 g/mol
• Exact Mass: 1188.53
• IUPAC Name: 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
• SMILES: C=Cc1ccc(COCc2ccc(N(c3ccc(COCc4ccc(C=C)cc4)cc3)c3ccc(C(=O)OCCOC(=O)c4ccc(N(c5ccc(COCc6ccc(C=C)cc6)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C80H72N2O8/c1-5-59-9-17-63(18-10-59)51-85-55-67-25-37-73(38-26-67)81(74-39-27-68(28-40-74)56-86-52-64-19-11-60(6-2)12-20-64)77-45-33-71(34-46-77)79(83)89-49-50-90-80(84)72-35-47-78(48-36-72)82(75-41-29-69(30-42-75)57-87-53-65-21-13-61(7-3)14-22-65)76-43-31-70(32-44-76)58-88-54-66-23-15-62(8-4)16-24-66/h5-48H,1-4,49-58H2
• InChIKey: OUAJXUQRHPIJMU-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 96.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.46
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate?

The IUPAC name of 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate (CID 89417418) is 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate.

What is the SMILES notation for 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate?

The canonical SMILES for 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate is C=Cc1ccc(COCc2ccc(N(c3ccc(COCc4ccc(C=C)cc4)cc3)c3ccc(C(=O)OCCOC(=O)c4ccc(N(c5ccc(COCc6ccc(C=C)cc6)cc5)c5ccc(COCc6ccc(C=C)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate?

The InChIKey is OUAJXUQRHPIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H72N2O8/c1-5-59-9-17-63(18-10-59)51-85-55-67-25-37-73(38-26-67)81(74-39-27-68(28-40-74)56-86-52-64-19-11-60(6-2)12-20-64)77-45-33-71(34-46-77)79(83)89-49-50-90-80(84)72-35-47-78(48-36-72)82(75-41-29-69(30-42-75)57-87-53-65-21-13-61(7-3)14-22-65)76-43-31-70(32-44-76)58-88-54-66-23-15-62(8-4)16-24-66/h5-48H,1-4,49-58H2.

What are the key properties of 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate?

2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate has a molecular weight of 1189.46 g/mol, XLogP of 19.08, 31 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate is sourced from PubChem (CID 89417418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).