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

C75H58F6N4O8 — CID 121430514

IUPAC2-[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
SMILESCC(C)(c1ccc(N2C(=O)C=CC2=O)cc1)c1cccc(C(C)(C)c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(C(C)(C)c7cccc(C(C)(C)c8ccc(N9C(=O)C=CC9=O)cc8)c7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c1
InChIInChI=1S/C75H58F6N4O8/c1-69(2,43-15-25-53(26-16-43)82-61(86)35-36-62(82)87)47-11-9-13-49(39-47)71(5,6)45-19-29-55(30-20-45)84-65(90)57-33-23-51(41-59(57)67(84)92)73(74(76,77)78,75(79,80)81)52-24-34-58-60(42-52)68(93)85(66(58)91)56-31-21-46(22-32-56)72(7,8)50-14-10-12-48(40-50)70(3,4)44-17-27-54(28-18-44)83-63(88)37-38-64(83)89/h9-42H,1-8H3
InChIKeyKYFKCYMCMMFXGS-UHFFFAOYSA-N
MW1257.30 g/mol
LogP14.86
Rot. Bonds14

About 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

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 (PubChem CID 121430514) has the molecular formula C75H58F6N4O8 and a molecular weight of 1257.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID121430514
Molecular FormulaC75H58F6N4O8
Molecular Weight1257.30 g/mol
Exact Mass1256.42
IUPAC Name2-[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
SMILESCC(C)(c1ccc(N2C(=O)C=CC2=O)cc1)c1cccc(C(C)(C)c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(C(C)(C)c7cccc(C(C)(C)c8ccc(N9C(=O)C=CC9=O)cc8)c7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c1
InChIInChI=1S/C75H58F6N4O8/c1-69(2,43-15-25-53(26-16-43)82-61(86)35-36-62(82)87)47-11-9-13-49(39-47)71(5,6)45-19-29-55(30-20-45)84-65(90)57-33-23-51(41-59(57)67(84)92)73(74(76,77)78,75(79,80)81)52-24-34-58-60(42-52)68(93)85(66(58)91)56-31-21-46(22-32-56)72(7,8)50-14-10-12-48(40-50)70(3,4)44-17-27-54(28-18-44)83-63(88)37-38-64(83)89/h9-42H,1-8H3
InChIKeyKYFKCYMCMMFXGS-UHFFFAOYSA-N
XLogP14.86
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.30
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
CID 19914851
CID 19914851
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
5-(1,3-dioxoisoindol-5-yl)-2-[4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]phenyl]isoindole-1,3-dione
CID 166033731
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
2-(3-amino-4-fluorophenyl)-5-[2-[2-(3-amino-4-fluorophenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 139771855
4-[4-[5-[2-[2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 59937281
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
5-[2-[2-(3-acetyl-5-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]isoindole-1,3-dione
CID 59992712
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-[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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccc(N2C(=O)C=CC2=O)cc1)c1cccc(C(C)(C)c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(C(C)(C)c7cccc(C(C)(C)c8ccc(N9C(=O)C=CC9=O)cc8)c7)cc5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c1.
What is the InChIKey of 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?
The InChIKey is KYFKCYMCMMFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H58F6N4O8/c1-69(2,43-15-25-53(26-16-43)82-61(86)35-36-62(82)87)47-11-9-13-49(39-47)71(5,6)45-19-29-55(30-20-45)84-65(90)57-33-23-51(41-59(57)67(84)92)73(74(76,77)78,75(79,80)81)52-24-34-58-60(42-52)68(93)85(66(58)91)56-31-21-46(22-32-56)72(7,8)50-14-10-12-48(40-50)70(3,4)44-17-27-54(28-18-44)83-63(88)37-38-64(83)89/h9-42H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1257.30 g/mol, XLogP of 14.86, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121430514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).