5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione

C58H36F6N2O6 — CID 169025564

IUPAC5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C7(c8ccc9c(c8)C(=O)N(C)C9=O)c8ccccc8-c8ccccc87)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C58H36F6N2O6/c1-33-11-21-39(22-12-33)71-40-23-13-34(14-24-40)56(57(59,60)61,58(62,63)64)35-15-25-41(26-16-35)72-42-27-19-38(20-28-42)66-53(69)46-30-18-37(32-48(46)54(66)70)55(36-17-29-45-47(31-36)52(68)65(2)51(45)67)49-9-5-3-7-43(49)44-8-4-6-10-50(44)55/h3-32H,1-2H3
InChIKeyCOUODRVHKSIUBL-UHFFFAOYSA-N
MW970.92 g/mol
LogP13.38
Rot. Bonds9

About 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione

5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione (PubChem CID 169025564) has the molecular formula C58H36F6N2O6 and a molecular weight of 970.92 g/mol. Its IUPAC name is 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione
PubChem CID169025564
Molecular FormulaC58H36F6N2O6
Molecular Weight970.92 g/mol
Exact Mass970.25
IUPAC Name5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C7(c8ccc9c(c8)C(=O)N(C)C9=O)c8ccccc8-c8ccccc87)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C58H36F6N2O6/c1-33-11-21-39(22-12-33)71-40-23-13-34(14-24-40)56(57(59,60)61,58(62,63)64)35-15-25-41(26-16-35)72-42-27-19-38(20-28-42)66-53(69)46-30-18-37(32-48(46)54(66)70)55(36-17-29-45-47(31-36)52(68)65(2)51(45)67)49-9-5-3-7-43(49)44-8-4-6-10-50(44)55/h3-32H,1-2H3
InChIKeyCOUODRVHKSIUBL-UHFFFAOYSA-N
XLogP13.38
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.92
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione (CID 169025564) is 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione is Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)c6ccc(C7(c8ccc9c(c8)C(=O)N(C)C9=O)c8ccccc8-c8ccccc87)cc6C5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione?
The InChIKey is COUODRVHKSIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36F6N2O6/c1-33-11-21-39(22-12-33)71-40-23-13-34(14-24-40)56(57(59,60)61,58(62,63)64)35-15-25-41(26-16-35)72-42-27-19-38(20-28-42)66-53(69)46-30-18-37(32-48(46)54(66)70)55(36-17-29-45-47(31-36)52(68)65(2)51(45)67)49-9-5-3-7-43(49)44-8-4-6-10-50(44)55/h3-32H,1-2H3.
What are the key properties of 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione?
5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione has a molecular weight of 970.92 g/mol, XLogP of 13.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[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]fluoren-9-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 169025564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).