5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

C67H43F9N4O9 — CID 162098265

About 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 162098265) has the molecular formula C67H43F9N4O9 and a molecular weight of 1219.08 g/mol. Its IUPAC name is 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 162098265
• Molecular Formula: C67H43F9N4O9
• Molecular Weight: 1219.08 g/mol
• Exact Mass: 1218.29
• IUPAC Name: 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(Cc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(C)c(-c7cc(N8C(=O)c9ccc(C(C)(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)C(F)(F)F)cc9C8=O)ccc7OC(F)(F)F)c5)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1
• InChI: InChI=1S/C67H43F9N4O9/c1-33-6-9-35(10-7-33)26-36-11-18-41(19-12-36)78-57(83)45-22-14-38(28-51(45)60(78)86)64(4,66(71,72)73)40-16-23-46-52(30-40)61(87)79(58(46)84)42-17-8-34(2)48(31-42)49-32-43(20-25-54(49)89-67(74,75)76)80-59(85)47-24-15-39(29-53(47)62(80)88)63(3,65(68,69)70)37-13-21-44-50(27-37)56(82)77(5)55(44)81/h6-25,27-32H,26H2,1-5H3
• InChIKey: FVJWZIZWSKWGFV-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 158.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.08
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 162098265) is 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)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-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(Cc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(C)c(-c7cc(N8C(=O)c9ccc(C(C)(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)C(F)(F)F)cc9C8=O)ccc7OC(F)(F)F)c5)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.

What is the InChIKey of 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is FVJWZIZWSKWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43F9N4O9/c1-33-6-9-35(10-7-33)26-36-11-18-41(19-12-36)78-57(83)45-22-14-38(28-51(45)60(78)86)64(4,66(71,72)73)40-16-23-46-52(30-40)61(87)79(58(46)84)42-17-8-34(2)48(31-42)49-32-43(20-25-54(49)89-67(74,75)76)80-59(85)47-24-15-39(29-53(47)62(80)88)63(3,65(68,69)70)37-13-21-44-50(27-37)56(82)77(5)55(44)81/h6-25,27-32H,26H2,1-5H3.

What are the key properties of 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione?

5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1219.08 g/mol, XLogP of 13.82, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[3-[5-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]-2-methylphenyl]-4-(trifluoromethoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 162098265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).