N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide

C81H44F18N4O12 — CID 162619148

IUPACN-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide
SMILESO=Cc1cc(C(c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C(c5ccc(Oc6ccc(N7C(=O)C=CC7=O)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc2)C3=O)(C(F)(F)F)C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C81H44F18N4O12/c82-76(83,84)73(77(85,86)87,46-3-21-56(22-4-46)113-60-29-13-52(14-30-60)101-66(105)37-38-67(101)106)45-1-19-55(20-2-45)112-59-27-11-51(12-28-59)100-70(109)63-35-9-49(41-44(63)43-104)75(80(94,95)96,81(97,98)99)50-10-36-64-65(42-50)72(111)103(71(64)110)54-17-33-62(34-18-54)115-58-25-7-48(8-26-58)74(78(88,89)90,79(91,92)93)47-5-23-57(24-6-47)114-61-31-15-53(16-32-61)102-68(107)39-40-69(102)108/h1-43H,(H,100,109)
InChIKeyTVZWYGKHPPBGSJ-UHFFFAOYSA-N
MW1607.22 g/mol
LogP19.81
Rot. Bonds20

About N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide

N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide (PubChem CID 162619148) has the molecular formula C81H44F18N4O12 and a molecular weight of 1607.22 g/mol. Its IUPAC name is N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide
PubChem CID162619148
Molecular FormulaC81H44F18N4O12
Molecular Weight1607.22 g/mol
Exact Mass1606.27
IUPAC NameN-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide
SMILESO=Cc1cc(C(c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C(c5ccc(Oc6ccc(N7C(=O)C=CC7=O)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc2)C3=O)(C(F)(F)F)C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C81H44F18N4O12/c82-76(83,84)73(77(85,86)87,46-3-21-56(22-4-46)113-60-29-13-52(14-30-60)101-66(105)37-38-67(101)106)45-1-19-55(20-2-45)112-59-27-11-51(12-28-59)100-70(109)63-35-9-49(41-44(63)43-104)75(80(94,95)96,81(97,98)99)50-10-36-64-65(42-50)72(111)103(71(64)110)54-17-33-62(34-18-54)115-58-25-7-48(8-26-58)74(78(88,89)90,79(91,92)93)47-5-23-57(24-6-47)114-61-31-15-53(16-32-61)102-68(107)39-40-69(102)108/h1-43H,(H,100,109)
InChIKeyTVZWYGKHPPBGSJ-UHFFFAOYSA-N
XLogP19.81
TPSA195.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.22
LogP ≤ 519.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide with MolForge

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Related Compounds

5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 167135654
3-[5-[2-[2-[4-[4-[5-[2-[2-(3-carboxyphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid
CID 101233990
1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 141170010
4-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[2-[4-[4-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 59372685
2-[4-[2-[3-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[2-[2-[4-[2-[3-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 121430514
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
2-(4-fluorophenyl)-5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 2832096
2-[4-[4-[2-[4-[4-[1,3-dioxo-5-(2-phenylethynyl)isoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
CID 20806756
4-tert-butyl-N-[4-[4-[[4-[5-[2-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoyl]amino]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzamide
CID 148536377
5-[2-[1,3-dioxo-2-(4-prop-2-ynoxyphenyl)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(4-prop-2-ynoxyphenyl)isoindole-1,3-dione
CID 157247082
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
5-[2-[2-[4-(5-butan-2-ylcyclohepta-1,4,6-trien-1-yl)oxyphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formyl-N,N',N'-trimethylbenzohydrazide;ethane
CID 144918436

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide?
The IUPAC name of N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide (CID 162619148) is N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide.
What is the SMILES notation for N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide?
The canonical SMILES for N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide is O=Cc1cc(C(c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C(c5ccc(Oc6ccc(N7C(=O)C=CC7=O)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc2)C3=O)(C(F)(F)F)C(F)(F)F)ccc1C(=O)Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide?
The InChIKey is TVZWYGKHPPBGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H44F18N4O12/c82-76(83,84)73(77(85,86)87,46-3-21-56(22-4-46)113-60-29-13-52(14-30-60)101-66(105)37-38-67(101)106)45-1-19-55(20-2-45)112-59-27-11-51(12-28-59)100-70(109)63-35-9-49(41-44(63)43-104)75(80(94,95)96,81(97,98)99)50-10-36-64-65(42-50)72(111)103(71(64)110)54-17-33-62(34-18-54)115-58-25-7-48(8-26-58)74(78(88,89)90,79(91,92)93)47-5-23-57(24-6-47)114-61-31-15-53(16-32-61)102-68(107)39-40-69(102)108/h1-43H,(H,100,109).
What are the key properties of N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide?
N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide has a molecular weight of 1607.22 g/mol, XLogP of 19.81, 20 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-4-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-formylbenzamide is sourced from PubChem (CID 162619148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).