5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione

C53H30F6N4O10 — CID 59861016

IUPAC5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESCC1=CC(=O)N(c2ccc(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)C=C(C)C9=O)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)C1=O
InChIInChI=1S/C53H30F6N4O10/c1-27-23-43(64)60(45(27)66)31-5-13-35(14-6-31)72-37-17-9-33(10-18-37)62-47(68)39-21-3-29(25-41(39)49(62)70)51(52(54,55)56,53(57,58)59)30-4-22-40-42(26-30)50(71)63(48(40)69)34-11-19-38(20-12-34)73-36-15-7-32(8-16-36)61-44(65)24-28(2)46(61)67/h3-26H,1-2H3
InChIKeyAPJTVISZVURNBX-UHFFFAOYSA-N
MW996.83 g/mol
LogP9.92
Rot. Bonds10

About 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione (PubChem CID 59861016) has the molecular formula C53H30F6N4O10 and a molecular weight of 996.83 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione
PubChem CID59861016
Molecular FormulaC53H30F6N4O10
Molecular Weight996.83 g/mol
Exact Mass996.19
IUPAC Name5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione
SMILESCC1=CC(=O)N(c2ccc(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)C=C(C)C9=O)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)C1=O
InChIInChI=1S/C53H30F6N4O10/c1-27-23-43(64)60(45(27)66)31-5-13-35(14-6-31)72-37-17-9-33(10-18-37)62-47(68)39-21-3-29(25-41(39)49(62)70)51(52(54,55)56,53(57,58)59)30-4-22-40-42(26-30)50(71)63(48(40)69)34-11-19-38(20-12-34)73-36-15-7-32(8-16-36)61-44(65)24-28(2)46(61)67/h3-26H,1-2H3
InChIKeyAPJTVISZVURNBX-UHFFFAOYSA-N
XLogP9.92
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.83
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione (CID 59861016) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione is CC1=CC(=O)N(c2ccc(Oc3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)C=C(C)C9=O)cc8)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc2)C1=O.
What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione?
The InChIKey is APJTVISZVURNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F6N4O10/c1-27-23-43(64)60(45(27)66)31-5-13-35(14-6-31)72-37-17-9-33(10-18-37)62-47(68)39-21-3-29(25-41(39)49(62)70)51(52(54,55)56,53(57,58)59)30-4-22-40-42(26-30)50(71)63(48(40)69)34-11-19-38(20-12-34)73-36-15-7-32(8-16-36)61-44(65)24-28(2)46(61)67/h3-26H,1-2H3.
What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione?
5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione has a molecular weight of 996.83 g/mol, XLogP of 9.92, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 59861016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).