5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C64H48F12N4O8 — CID 59133267

About 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 59133267) has the molecular formula C64H48F12N4O8 and a molecular weight of 1229.08 g/mol. Its IUPAC name is 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 59133267
• Molecular Formula: C64H48F12N4O8
• Molecular Weight: 1229.08 g/mol
• Exact Mass: 1228.33
• IUPAC Name: 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(CC4(C)CC(C)CC(C)(C)C4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1C
• InChI: InChI=1S/C64H48F12N4O8/c1-30-26-57(4,5)28-58(6,27-30)29-78-51(83)42-15-9-34(23-46(42)52(78)84)60(63(71,72)73,64(74,75)76)36-11-17-44-48(25-36)56(88)80(54(44)86)38-13-19-40(32(3)21-38)39-18-12-37(20-31(39)2)79-53(85)43-16-10-35(24-47(43)55(79)87)59(61(65,66)67,62(68,69)70)33-8-14-41-45(22-33)50(82)77(7)49(41)81/h8-25,30H,26-29H2,1-7H3
• InChIKey: HPRURYFXWSAJMM-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 149.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.08
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 59133267) is 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1cc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(CC4(C)CC(C)CC(C)(C)C4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1C.

What is the InChIKey of 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

The InChIKey is HPRURYFXWSAJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48F12N4O8/c1-30-26-57(4,5)28-58(6,27-30)29-78-51(83)42-15-9-34(23-46(42)52(78)84)60(63(71,72)73,64(74,75)76)36-11-17-44-48(25-36)56(88)80(54(44)86)38-13-19-40(32(3)21-38)39-18-12-37(20-31(39)2)79-53(85)43-16-10-35(24-47(43)55(79)87)59(61(65,66)67,62(68,69)70)33-8-14-41-45(22-33)50(82)77(7)49(41)81/h8-25,30H,26-29H2,1-7H3.

What are the key properties of 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?

5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1229.08 g/mol, XLogP of 14.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[4-[4-[5-[2-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 59133267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).