5-[2-[2-[4-[2-diphenylphosphoryl-4-(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 20750509

IUPAC5-[2-[2-[4-[2-diphenylphosphoryl-4-(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(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-43(44(29-36)67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)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
InChIKeyNIVMFCDSSOAUPW-UHFFFAOYSA-N
MW930.79 g/mol
LogP10.66
Rot. Bonds10

About 5-[2-[2-[4-[2-diphenylphosphoryl-4-(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-4-(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 20750509) has the molecular formula C51H33F6N2O7P and a molecular weight of 930.79 g/mol. Its IUPAC name is 5-[2-[2-[4-[2-diphenylphosphoryl-4-(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-4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID20750509
Molecular FormulaC51H33F6N2O7P
Molecular Weight930.79 g/mol
Exact Mass930.19
IUPAC Name5-[2-[2-[4-[2-diphenylphosphoryl-4-(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(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-43(44(29-36)67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)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
InChIKeyNIVMFCDSSOAUPW-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-4-(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N,N'-Bis[4-(4-aminophenoxy)phenyl]pyromellitic diimide
CID 572520
2-[3-[(1R,2R)-2-[5-(1,3-dioxoisoindol-2-yl)-2-phenoxyphenyl]-1,2,3,3,4,4-hexafluorocyclobutyl]-4-phenoxyphenyl]isoindole-1,3-dione;ethoxyethane
CID 139055727
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-[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-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20667350
5-[2-[2-[4-[4-Tert-butyl-2-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 20679342
2-[4-[5-Tert-butyl-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 20679359
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-propan-2-ylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
CID 20685052

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[2-diphenylphosphoryl-4-(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-4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 20750509) is 5-[2-[2-[4-[2-diphenylphosphoryl-4-(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-4-(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-4-(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(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[2-[2-[4-[2-diphenylphosphoryl-4-(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 NIVMFCDSSOAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33F6N2O7P/c1-30-13-19-34(20-14-30)65-36-23-26-43(44(29-36)67(64,37-9-5-3-6-10-37)38-11-7-4-8-12-38)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-4-(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-4-(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-4-(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 20750509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).