[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone

C59H42O9 — CID 20643575

About [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone

[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 20643575) has the molecular formula C59H42O9 and a molecular weight of 894.98 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

• Compound Name: [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
• PubChem CID: 20643575
• Molecular Formula: C59H42O9
• Molecular Weight: 894.98 g/mol
• Exact Mass: 894.28
• IUPAC Name: [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
• SMILES: COc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(Oc8ccc(C(=O)c9ccc(C)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C59H42O9/c1-39-3-5-40(6-4-39)57(60)41-7-17-48(18-8-41)65-53-31-33-54(34-32-53)66-50-23-13-44(14-24-50)59(62)45-15-25-51(26-16-45)68-56-37-35-55(36-38-56)67-49-21-11-43(12-22-49)58(61)42-9-19-47(20-10-42)64-52-29-27-46(63-2)28-30-52/h3-38H,1-2H3
• InChIKey: XHPQZNIRVRSZLI-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.98
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?

The IUPAC name of [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone (CID 20643575) is [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone.

What is the SMILES notation for [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?

The canonical SMILES for [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone is COc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(Oc8ccc(C(=O)c9ccc(C)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?

The InChIKey is XHPQZNIRVRSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42O9/c1-39-3-5-40(6-4-39)57(60)41-7-17-48(18-8-41)65-53-31-33-54(34-32-53)66-50-23-13-44(14-24-50)59(62)45-15-25-51(26-16-45)68-56-37-35-55(36-38-56)67-49-21-11-43(12-22-49)58(61)42-9-19-47(20-10-42)64-52-29-27-46(63-2)28-30-52/h3-38H,1-2H3.

What are the key properties of [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone?

[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 894.98 g/mol, XLogP of 14.66, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 20643575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).