5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione

C64H42F6N4O10 — CID 90770337

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

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione (PubChem CID 90770337) has the molecular formula C64H42F6N4O10 and a molecular weight of 1141.05 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione
• PubChem CID: 90770337
• Molecular Formula: C64H42F6N4O10
• Molecular Weight: 1141.05 g/mol
• Exact Mass: 1140.28
• IUPAC Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione
• SMILES: Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Cc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
• InChI: InChI=1S/C33H20F6N2O5.C31H22N2O5/c1-17-3-9-21(10-4-17)46-22-11-7-20(8-12-22)41-29(44)24-14-6-19(16-26(24)30(41)45)31(32(34,35)36,33(37,38)39)18-5-13-23-25(15-18)28(43)40(2)27(23)42;1-18-3-9-22(10-4-18)38-23-11-7-21(8-12-23)33-30(36)25-14-6-20(17-27(25)31(33)37)15-19-5-13-24-26(16-19)29(35)32(2)28(24)34/h3-16H,1-2H3;3-14,16-17H,15H2,1-2H3
• InChIKey: LGGOULXZJDMJSS-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 167.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.05
LogP ≤ 5	12.63
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-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione?

The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione (CID 90770337) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione.

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

The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione is Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Cc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.

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

The InChIKey is LGGOULXZJDMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N2O5.C31H22N2O5/c1-17-3-9-21(10-4-17)46-22-11-7-20(8-12-22)41-29(44)24-14-6-19(16-26(24)30(41)45)31(32(34,35)36,33(37,38)39)18-5-13-23-25(15-18)28(43)40(2)27(23)42;1-18-3-9-22(10-4-18)38-23-11-7-21(8-12-23)33-30(36)25-14-6-20(17-27(25)31(33)37)15-19-5-13-24-26(16-19)29(35)32(2)28(24)34/h3-16H,1-2H3;3-14,16-17H,15H2,1-2H3.

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

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 1141.05 g/mol, XLogP of 12.63, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 90770337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).