5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

C64H50F6N2O6 — CID 23396607

About 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 23396607) has the molecular formula C64H50F6N2O6 and a molecular weight of 1057.10 g/mol. Its IUPAC name is 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 23396607
• Molecular Formula: C64H50F6N2O6
• Molecular Weight: 1057.10 g/mol
• Exact Mass: 1056.36
• IUPAC Name: 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(C(C)(c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OCC(c3ccccc3)c3ccccc3)c2)C(F)(F)F)cc1OCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C64H50F6N2O6/c1-39-25-26-46(35-55(39)77-37-52(40-17-9-5-10-18-40)41-19-11-6-12-20-41)62(3,64(68,69)70)47-29-32-54(56(36-47)78-38-53(42-21-13-7-14-22-42)43-23-15-8-16-24-43)72-59(75)49-31-28-45(34-51(49)60(72)76)61(2,63(65,66)67)44-27-30-48-50(33-44)58(74)71(4)57(48)73/h5-36,52-53H,37-38H2,1-4H3
• InChIKey: ASDDHBSVHIPUAL-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 93.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.10
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 23396607) is 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(C(C)(c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OCC(c3ccccc3)c3ccccc3)c2)C(F)(F)F)cc1OCC(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is ASDDHBSVHIPUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50F6N2O6/c1-39-25-26-46(35-55(39)77-37-52(40-17-9-5-10-18-40)41-19-11-6-12-20-41)62(3,64(68,69)70)47-29-32-54(56(36-47)78-38-53(42-21-13-7-14-22-42)43-23-15-8-16-24-43)72-59(75)49-31-28-45(34-51(49)60(72)76)61(2,63(65,66)67)44-27-30-48-50(33-44)58(74)71(4)57(48)73/h5-36,52-53H,37-38H2,1-4H3.

What are the key properties of 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1057.10 g/mol, XLogP of 14.18, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-(2,2-diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 23396607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).