2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione

C46H23F15N2O7 — CID 59992711

About 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione

2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione (PubChem CID 59992711) has the molecular formula C46H23F15N2O7 and a molecular weight of 1000.67 g/mol. Its IUPAC name is 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione
• PubChem CID: 59992711
• Molecular Formula: C46H23F15N2O7
• Molecular Weight: 1000.67 g/mol
• Exact Mass: 1000.13
• IUPAC Name: 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione
• SMILES: CC(c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)OC7=O)(C(F)F)C(F)F)cc5C4=O)cc3)(C(F)F)C(F)(F)F)cc1)C2=O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C46H23F15N2O7/c1-41(44(53,54)55,45(56,57)58)21-6-13-26-29(16-21)34(66)62(32(26)64)24-9-2-19(3-10-24)43(40(51)52,46(59,60)61)20-4-11-25(12-5-20)63-33(65)27-14-7-22(17-30(27)35(63)67)42(38(47)48,39(49)50)23-8-15-28-31(18-23)37(69)70-36(28)68/h2-18,38-40H,1H3
• InChIKey: UYHNNHOEPBRKTN-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 118.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.67
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione?

The IUPAC name of 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione (CID 59992711) is 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione?

The canonical SMILES for 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione is CC(c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)OC7=O)(C(F)F)C(F)F)cc5C4=O)cc3)(C(F)F)C(F)(F)F)cc1)C2=O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione?

The InChIKey is UYHNNHOEPBRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H23F15N2O7/c1-41(44(53,54)55,45(56,57)58)21-6-13-26-29(16-21)34(66)62(32(26)64)24-9-2-19(3-10-24)43(40(51)52,46(59,60)61)20-4-11-25(12-5-20)63-33(65)27-14-7-22(17-30(27)35(63)67)42(38(47)48,39(49)50)23-8-15-28-31(18-23)37(69)70-36(28)68/h2-18,38-40H,1H3.

What are the key properties of 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione?

2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 1000.67 g/mol, XLogP of 10.91, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,3,3-tetrafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3-pentafluoropropan-2-yl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 59992711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).