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

C48H28F12N2O6 — CID 58846764

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(C)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H28F12N2O6/c1-25-3-13-31(14-4-25)67-32-15-5-26(6-16-32)43(45(49,50)51,46(52,53)54)27-7-17-33(18-8-27)68-34-19-11-30(12-20-34)62-41(65)36-22-10-29(24-38(36)42(62)66)44(47(55,56)57,48(58,59)60)28-9-21-35-37(23-28)40(64)61(2)39(35)63/h3-24H,1-2H3
InChIKeyHCAMLEYFFVXGPM-UHFFFAOYSA-N
MW956.74 g/mol
LogP12.43
Rot. Bonds9

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

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 58846764) has the molecular formula C48H28F12N2O6 and a molecular weight of 956.74 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID58846764
Molecular FormulaC48H28F12N2O6
Molecular Weight956.74 g/mol
Exact Mass956.18
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(C)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C48H28F12N2O6/c1-25-3-13-31(14-4-25)67-32-15-5-26(6-16-32)43(45(49,50)51,46(52,53)54)27-7-17-33(18-8-27)68-34-19-11-30(12-20-34)62-41(65)36-22-10-29(24-38(36)42(62)66)44(47(55,56)57,48(58,59)60)28-9-21-35-37(23-28)40(64)61(2)39(35)63/h3-24H,1-2H3
InChIKeyHCAMLEYFFVXGPM-UHFFFAOYSA-N
XLogP12.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.74
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione (CID 58846764) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C(c7ccc8c(c7)C(=O)N(C)C8=O)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is HCAMLEYFFVXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F12N2O6/c1-25-3-13-31(14-4-25)67-32-15-5-26(6-16-32)43(45(49,50)51,46(52,53)54)27-7-17-33(18-8-27)68-34-19-11-30(12-20-34)62-41(65)36-22-10-29(24-38(36)42(62)66)44(47(55,56)57,48(58,59)60)28-9-21-35-37(23-28)40(64)61(2)39(35)63/h3-24H,1-2H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione?
5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 956.74 g/mol, XLogP of 12.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58846764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).