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

C61H34F6N4O12 — CID 59753194

IUPAC5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(c6ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc3)C4=O)cc2C1=O
InChIInChI=1S/C61H34F6N4O12/c1-68-51(72)43-23-19-39(27-47(43)53(68)74)82-41-21-25-45-49(29-41)57(78)70(55(45)76)33-7-15-37(16-8-33)80-35-11-3-31(4-12-35)59(60(62,63)64,61(65,66)67)32-5-13-36(14-6-32)81-38-17-9-34(10-18-38)71-56(77)46-26-22-42(30-50(46)58(71)79)83-40-20-24-44-48(28-40)54(75)69(2)52(44)73/h3-30H,1-2H3
InChIKeyGUMZGFOATIOWKJ-UHFFFAOYSA-N
MW1128.95 g/mol
LogP12.32
Rot. Bonds12

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

5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (PubChem CID 59753194) has the molecular formula C61H34F6N4O12 and a molecular weight of 1128.95 g/mol. Its IUPAC name is 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
PubChem CID59753194
Molecular FormulaC61H34F6N4O12
Molecular Weight1128.95 g/mol
Exact Mass1128.21
IUPAC Name5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(c6ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc3)C4=O)cc2C1=O
InChIInChI=1S/C61H34F6N4O12/c1-68-51(72)43-23-19-39(27-47(43)53(68)74)82-41-21-25-45-49(29-41)57(78)70(55(45)76)33-7-15-37(16-8-33)80-35-11-3-31(4-12-35)59(60(62,63)64,61(65,66)67)32-5-13-36(14-6-32)81-38-17-9-34(10-18-38)71-56(77)46-26-22-42(30-50(46)58(71)79)83-40-20-24-44-48(28-40)54(75)69(2)52(44)73/h3-30H,1-2H3
InChIKeyGUMZGFOATIOWKJ-UHFFFAOYSA-N
XLogP12.32
TPSA186.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.95
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (CID 59753194) is 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C(c6ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)(C(F)(F)F)C(F)(F)F)cc5)cc3)C4=O)cc2C1=O.
What is the InChIKey of 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The InChIKey is GUMZGFOATIOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34F6N4O12/c1-68-51(72)43-23-19-39(27-47(43)53(68)74)82-41-21-25-45-49(29-41)57(78)70(55(45)76)33-7-15-37(16-8-33)80-35-11-3-31(4-12-35)59(60(62,63)64,61(65,66)67)32-5-13-36(14-6-32)81-38-17-9-34(10-18-38)71-56(77)46-26-22-42(30-50(46)58(71)79)83-40-20-24-44-48(28-40)54(75)69(2)52(44)73/h3-30H,1-2H3.
What are the key properties of 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione has a molecular weight of 1128.95 g/mol, XLogP of 12.32, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 59753194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).