5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione

C38H24F12N2O7 — CID 145055419

IUPAC5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)NC6=O)cc4C3=O)c(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C38H24F12N2O7/c1-16(2)21-7-3-17(12-26(21)33(57,35(39,40)41)36(42,43)44)11-18-4-10-28(27(13-18)34(58,37(45,46)47)38(48,49)50)52-31(55)23-9-6-20(15-25(23)32(52)56)59-19-5-8-22-24(14-19)30(54)51-29(22)53/h3-10,12-16,57-58H,11H2,1-2H3,(H,51,53,54)
InChIKeyBMQFVEBGYOOHQC-UHFFFAOYSA-N
MW848.59 g/mol
LogP8.50
Rot. Bonds8

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

5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione (PubChem CID 145055419) has the molecular formula C38H24F12N2O7 and a molecular weight of 848.59 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione
PubChem CID145055419
Molecular FormulaC38H24F12N2O7
Molecular Weight848.59 g/mol
Exact Mass848.14
IUPAC Name5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)NC6=O)cc4C3=O)c(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C38H24F12N2O7/c1-16(2)21-7-3-17(12-26(21)33(57,35(39,40)41)36(42,43)44)11-18-4-10-28(27(13-18)34(58,37(45,46)47)38(48,49)50)52-31(55)23-9-6-20(15-25(23)32(52)56)59-19-5-8-22-24(14-19)30(54)51-29(22)53/h3-10,12-16,57-58H,11H2,1-2H3,(H,51,53,54)
InChIKeyBMQFVEBGYOOHQC-UHFFFAOYSA-N
XLogP8.50
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.59
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione (CID 145055419) is 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione is CC(C)c1ccc(Cc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)NC6=O)cc4C3=O)c(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione?
The InChIKey is BMQFVEBGYOOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F12N2O7/c1-16(2)21-7-3-17(12-26(21)33(57,35(39,40)41)36(42,43)44)11-18-4-10-28(27(13-18)34(58,37(45,46)47)38(48,49)50)52-31(55)23-9-6-20(15-25(23)32(52)56)59-19-5-8-22-24(14-19)30(54)51-29(22)53/h3-10,12-16,57-58H,11H2,1-2H3,(H,51,53,54).
What are the key properties of 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione?
5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione has a molecular weight of 848.59 g/mol, XLogP of 8.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-5-yl)oxy-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-propan-2-ylphenyl]methyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 145055419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).