5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione

C89H64F12N4O10 — CID 59855055

IUPAC5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C(c5ccc(N6C(=O)C=CC6=O)c(OCc6cc(CCc7ccccc7)cc(CCc7ccccc7)c6)c5)(C(F)(F)F)C(F)(F)F)cc3OCc3cc(CCc5ccccc5)cc(CCc5ccccc5)c3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C89H64F12N4O10/c90-86(91,92)84(87(93,94)95,64-29-33-68-70(47-64)81(111)103(80(68)110)53-102-76(106)37-38-77(102)107)65-30-34-69-71(48-65)83(113)105(82(69)112)73-36-32-67(50-75(73)115-52-63-45-60(27-23-56-17-9-3-10-18-56)42-61(46-63)28-24-57-19-11-4-12-20-57)85(88(96,97)98,89(99,100)101)66-31-35-72(104-78(108)39-40-79(104)109)74(49-66)114-51-62-43-58(25-21-54-13-5-1-6-14-54)41-59(44-62)26-22-55-15-7-2-8-16-55/h1-20,29-50H,21-28,51-53H2
InChIKeyMKLDAASKWDKCTJ-UHFFFAOYSA-N
MW1577.48 g/mol
LogP17.52
Rot. Bonds26

About 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione

5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione (PubChem CID 59855055) has the molecular formula C89H64F12N4O10 and a molecular weight of 1577.48 g/mol. Its IUPAC name is 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione
PubChem CID59855055
Molecular FormulaC89H64F12N4O10
Molecular Weight1577.48 g/mol
Exact Mass1576.44
IUPAC Name5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C(c5ccc(N6C(=O)C=CC6=O)c(OCc6cc(CCc7ccccc7)cc(CCc7ccccc7)c6)c5)(C(F)(F)F)C(F)(F)F)cc3OCc3cc(CCc5ccccc5)cc(CCc5ccccc5)c3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C89H64F12N4O10/c90-86(91,92)84(87(93,94)95,64-29-33-68-70(47-64)81(111)103(80(68)110)53-102-76(106)37-38-77(102)107)65-30-34-69-71(48-65)83(113)105(82(69)112)73-36-32-67(50-75(73)115-52-63-45-60(27-23-56-17-9-3-10-18-56)42-61(46-63)28-24-57-19-11-4-12-20-57)85(88(96,97)98,89(99,100)101)66-31-35-72(104-78(108)39-40-79(104)109)74(49-66)114-51-62-43-58(25-21-54-13-5-1-6-14-54)41-59(44-62)26-22-55-15-7-2-8-16-55/h1-20,29-50H,21-28,51-53H2
InChIKeyMKLDAASKWDKCTJ-UHFFFAOYSA-N
XLogP17.52
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001577.48
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione (CID 59855055) is 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione is O=C1C=CC(=O)N1CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C(c5ccc(N6C(=O)C=CC6=O)c(OCc6cc(CCc7ccccc7)cc(CCc7ccccc7)c6)c5)(C(F)(F)F)C(F)(F)F)cc3OCc3cc(CCc5ccccc5)cc(CCc5ccccc5)c3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is MKLDAASKWDKCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H64F12N4O10/c90-86(91,92)84(87(93,94)95,64-29-33-68-70(47-64)81(111)103(80(68)110)53-102-76(106)37-38-77(102)107)65-30-34-69-71(48-65)83(113)105(82(69)112)73-36-32-67(50-75(73)115-52-63-45-60(27-23-56-17-9-3-10-18-56)42-61(46-63)28-24-57-19-11-4-12-20-57)85(88(96,97)98,89(99,100)101)66-31-35-72(104-78(108)39-40-79(104)109)74(49-66)114-51-62-43-58(25-21-54-13-5-1-6-14-54)41-59(44-62)26-22-55-15-7-2-8-16-55/h1-20,29-50H,21-28,51-53H2.
What are the key properties of 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione?
5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 1577.48 g/mol, XLogP of 17.52, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-[2-[3-[[3,5-bis(2-phenylethyl)phenyl]methoxy]-4-(2,5-dioxopyrrol-1-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(2,5-dioxopyrrol-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 59855055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).