5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

C48H28F12N2O8 — CID 169025546

IUPAC5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C48H28F12N2O8/c1-23-19-26(7-17-37(23)63)44(47(55,56)57,48(58,59)60)27-8-18-38(64)36(20-27)62-41(67)33-16-14-31(22-35(33)42(62)68)70-29-11-5-25(6-12-29)43(45(49,50)51,46(52,53)54)24-3-9-28(10-4-24)69-30-13-15-32-34(21-30)40(66)61(2)39(32)65/h3-22,63-64H,1-2H3
InChIKeyQSUOCSKPGSHQOY-UHFFFAOYSA-N
MW988.73 g/mol
LogP11.84
Rot. Bonds9

About 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (PubChem CID 169025546) has the molecular formula C48H28F12N2O8 and a molecular weight of 988.73 g/mol. Its IUPAC name is 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
PubChem CID169025546
Molecular FormulaC48H28F12N2O8
Molecular Weight988.73 g/mol
Exact Mass988.17
IUPAC Name5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C48H28F12N2O8/c1-23-19-26(7-17-37(23)63)44(47(55,56)57,48(58,59)60)27-8-18-38(64)36(20-27)62-41(67)33-16-14-31(22-35(33)42(62)68)70-29-11-5-25(6-12-29)43(45(49,50)51,46(52,53)54)24-3-9-28(10-4-24)69-30-13-15-32-34(21-30)40(66)61(2)39(32)65/h3-22,63-64H,1-2H3
InChIKeyQSUOCSKPGSHQOY-UHFFFAOYSA-N
XLogP11.84
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.73
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (CID 169025546) is 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is Cc1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc(C(c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.
What is the InChIKey of 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The InChIKey is QSUOCSKPGSHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F12N2O8/c1-23-19-26(7-17-37(23)63)44(47(55,56)57,48(58,59)60)27-8-18-38(64)36(20-27)62-41(67)33-16-14-31(22-35(33)42(62)68)70-29-11-5-25(6-12-29)43(45(49,50)51,46(52,53)54)24-3-9-28(10-4-24)69-30-13-15-32-34(21-30)40(66)61(2)39(32)65/h3-22,63-64H,1-2H3.
What are the key properties of 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione has a molecular weight of 988.73 g/mol, XLogP of 11.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 169025546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).