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

C51H33F6N2O7P — CID 21056243

IUPAC5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c2)cc1
InChIInChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-44(67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)43(29-36)66-35-21-17-33(18-22-35)59-47(62)40-25-16-32(28-42(40)48(59)63)49(50(52,53)54,51(55,56)57)31-15-24-39-41(27-31)46(61)58(2)45(39)60/h3-29H,1-2H3
InChIKeyGUQZYCAOGXHRHE-UHFFFAOYSA-N
MW930.79 g/mol
LogP10.66
Rot. Bonds10

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

5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 21056243) has the molecular formula C51H33F6N2O7P and a molecular weight of 930.79 g/mol. Its IUPAC name is 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID21056243
Molecular FormulaC51H33F6N2O7P
Molecular Weight930.79 g/mol
Exact Mass930.19
IUPAC Name5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c2)cc1
InChIInChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-44(67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)43(29-36)66-35-21-17-33(18-22-35)59-47(62)40-25-16-32(28-42(40)48(59)63)49(50(52,53)54,51(55,56)57)31-15-24-39-41(27-31)46(61)58(2)45(39)60/h3-29H,1-2H3
InChIKeyGUQZYCAOGXHRHE-UHFFFAOYSA-N
XLogP10.66
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.79
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

5,5'-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis[2-(4-phenoxyphenyl)-1H-isoindole-1,3(2H)-dione]
CID 45926778
6-Methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22943204
2-(4-{4-[1-{4-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)-1H-isoindole-1,3(2H)-dione
CID 9540274
1-[(2,4-Dimethylphenyl)methyl]-6-[4-[4-(1,3-dioxoisoindol-2-yl)phenoxy]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11592554
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
2-Methyl-5-[2-[3-[3-[3-methyl-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730833
2-Methyl-5-[2-[3-[3-[3-methyl-5-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730834
2-Methyl-5-[2-[3-[3-(3-methylphenoxy)-5-(trifluoromethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730835
4-Fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione
CID 18957316
2-[4-(4-Aminophenoxy)phenyl]-5-[2-[2-[4-(4-aminophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 19914845
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[3-[3-(3-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20663740
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[3-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20667350

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 21056243) is 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c2)cc1.
What is the InChIKey of 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is GUQZYCAOGXHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-44(67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)43(29-36)66-35-21-17-33(18-22-35)59-47(62)40-25-16-32(28-42(40)48(59)63)49(50(52,53)54,51(55,56)57)31-15-24-39-41(27-31)46(61)58(2)45(39)60/h3-29H,1-2H3.
What are the key properties of 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 930.79 g/mol, XLogP of 10.66, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-[2-diphenylphosphoryl-5-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 21056243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).