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

C61H34F6N4O13 — CID 58480888

IUPAC5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O
InChIInChI=1S/C61H34F6N4O13/c1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74/h3-28,72-73H,1-2H3
InChIKeyOPZKZRNRZWMHGX-UHFFFAOYSA-N
MW1144.95 g/mol
LogP11.82
Rot. Bonds11

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

5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (PubChem CID 58480888) has the molecular formula C61H34F6N4O13 and a molecular weight of 1144.95 g/mol. Its IUPAC name is 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
PubChem CID58480888
Molecular FormulaC61H34F6N4O13
Molecular Weight1144.95 g/mol
Exact Mass1144.20
IUPAC Name5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O
InChIInChI=1S/C61H34F6N4O13/c1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74/h3-28,72-73H,1-2H3
InChIKeyOPZKZRNRZWMHGX-UHFFFAOYSA-N
XLogP11.82
TPSA217.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.95
LogP ≤ 511.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-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-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (CID 58480888) is 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-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-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc5)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.
What is the InChIKey of 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The InChIKey is OPZKZRNRZWMHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H34F6N4O13/c1-29-3-4-30(23-49(29)72)59(60(62,63)64,61(65,66)67)31-5-22-48(50(73)24-31)71-55(78)43-21-17-39(28-47(43)58(71)81)84-38-16-20-42-46(27-38)57(80)70(54(42)77)33-8-12-35(13-9-33)82-34-10-6-32(7-11-34)69-53(76)41-19-15-37(26-45(41)56(69)79)83-36-14-18-40-44(25-36)52(75)68(2)51(40)74/h3-28,72-73H,1-2H3.
What are the key properties of 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione has a molecular weight of 1144.95 g/mol, XLogP of 11.82, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58480888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).