5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione

C57H34F6N4O10 — CID 58300673

About 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione

5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (PubChem CID 58300673) has the molecular formula C57H34F6N4O10 and a molecular weight of 1048.90 g/mol. Its IUPAC name is 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
• PubChem CID: 58300673
• Molecular Formula: C57H34F6N4O10
• Molecular Weight: 1048.90 g/mol
• Exact Mass: 1048.22
• IUPAC Name: 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cc(C(c6ccc(C)c(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)c6)(C(F)(F)F)C(F)(F)F)ccc4C)C5=O)cc3C2=O)cc1
• InChI: InChI=1S/C57H34F6N4O10/c1-27-5-11-32(12-6-27)65-49(70)38-18-14-34(24-42(38)52(65)73)77-36-16-20-40-44(26-36)54(75)67(51(40)72)46-22-31(10-8-29(46)3)55(56(58,59)60,57(61,62)63)30-9-7-28(2)45(21-30)66-50(71)39-19-15-35(25-43(39)53(66)74)76-33-13-17-37-41(23-33)48(69)64(4)47(37)68/h5-26H,1-4H3
• InChIKey: PVKBEZMGYPMJMO-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 167.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.90
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (CID 58300673) is 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

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

The canonical SMILES for 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cc(C(c6ccc(C)c(N7C(=O)c8ccc(Oc9ccc%10c(c9)C(=O)N(C)C%10=O)cc8C7=O)c6)(C(F)(F)F)C(F)(F)F)ccc4C)C5=O)cc3C2=O)cc1.

What is the InChIKey of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?

The InChIKey is PVKBEZMGYPMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34F6N4O10/c1-27-5-11-32(12-6-27)65-49(70)38-18-14-34(24-42(38)52(65)73)77-36-16-20-40-44(26-36)54(75)67(51(40)72)46-22-31(10-8-29(46)3)55(56(58,59)60,57(61,62)63)30-9-7-28(2)45(21-30)66-50(71)39-19-15-35(25-43(39)53(66)74)76-33-13-17-37-41(23-33)48(69)64(4)47(37)68/h5-26H,1-4H3.

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

5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione has a molecular weight of 1048.90 g/mol, XLogP of 11.23, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58300673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).