[4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate

C74H62O10 — CID 58309027

About [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate

[4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate (PubChem CID 58309027) has the molecular formula C74H62O10 and a molecular weight of 1111.30 g/mol. Its IUPAC name is [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate.

Molecular Properties

• Compound Name: [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate
• PubChem CID: 58309027
• Molecular Formula: C74H62O10
• Molecular Weight: 1111.30 g/mol
• Exact Mass: 1110.43
• IUPAC Name: [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate
• SMILES: CCC1(CCc2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)Oc5ccc6ccccc6c5-c5c(OC(=O)c6ccc(-c7ccc(OC(=O)c8ccc(CCC9(CC)COC9)cc8)cc7)cc6)ccc6ccccc56)cc4)cc3)cc2)COC1
• InChI: InChI=1S/C74H62O10/c1-3-73(45-79-46-73)43-41-49-13-17-57(18-14-49)69(75)81-61-35-29-53(30-36-61)51-21-25-59(26-22-51)71(77)83-65-39-33-55-9-5-7-11-63(55)67(65)68-64-12-8-6-10-56(64)34-40-66(68)84-72(78)60-27-23-52(24-28-60)54-31-37-62(38-32-54)82-70(76)58-19-15-50(16-20-58)42-44-74(4-2)47-80-48-74/h5-40H,3-4,41-48H2,1-2H3
• InChIKey: NPHRIPAWXWIBKV-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.30
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate?

The IUPAC name of [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate (CID 58309027) is [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate.

What is the SMILES notation for [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate?

The canonical SMILES for [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate is CCC1(CCc2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)Oc5ccc6ccccc6c5-c5c(OC(=O)c6ccc(-c7ccc(OC(=O)c8ccc(CCC9(CC)COC9)cc8)cc7)cc6)ccc6ccccc56)cc4)cc3)cc2)COC1.

What is the InChIKey of [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate?

The InChIKey is NPHRIPAWXWIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62O10/c1-3-73(45-79-46-73)43-41-49-13-17-57(18-14-49)69(75)81-61-35-29-53(30-36-61)51-21-25-59(26-22-51)71(77)83-65-39-33-55-9-5-7-11-63(55)67(65)68-64-12-8-6-10-56(64)34-40-66(68)84-72(78)60-27-23-52(24-28-60)54-31-37-62(38-32-54)82-70(76)58-19-15-50(16-20-58)42-44-74(4-2)47-80-48-74/h5-40H,3-4,41-48H2,1-2H3.

What are the key properties of [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate?

[4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate has a molecular weight of 1111.30 g/mol, XLogP of 16.59, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate is sourced from PubChem (CID 58309027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).