5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione

C65H40F12N4O7 — CID 122434860

IUPAC5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5cccc(C(C)(c7cccc(-c8nc9cc(C(C)(c%10ccc%11oc(C)nc%11c%10)C(F)(F)F)ccc9o8)c7)C(F)(F)F)c5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C65H40F12N4O7/c1-33-11-19-44(20-12-33)87-45-21-17-42(18-22-45)80-55(82)46-23-13-40(29-48(46)57(80)84)61(64(72,73)74,65(75,76)77)41-14-24-47-49(30-41)58(85)81(56(47)83)43-10-6-9-37(28-43)59(3,62(66,67)68)36-8-5-7-35(27-36)54-79-51-32-39(16-26-53(51)88-54)60(4,63(69,70)71)38-15-25-52-50(31-38)78-34(2)86-52/h5-32H,1-4H3
InChIKeyGSUBARUMVJCGBN-UHFFFAOYSA-N
MW1217.03 g/mol
LogP16.79
Rot. Bonds11

About 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione

5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione (PubChem CID 122434860) has the molecular formula C65H40F12N4O7 and a molecular weight of 1217.03 g/mol. Its IUPAC name is 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione
PubChem CID122434860
Molecular FormulaC65H40F12N4O7
Molecular Weight1217.03 g/mol
Exact Mass1216.27
IUPAC Name5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5cccc(C(C)(c7cccc(-c8nc9cc(C(C)(c%10ccc%11oc(C)nc%11c%10)C(F)(F)F)ccc9o8)c7)C(F)(F)F)c5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C65H40F12N4O7/c1-33-11-19-44(20-12-33)87-45-21-17-42(18-22-45)80-55(82)46-23-13-40(29-48(46)57(80)84)61(64(72,73)74,65(75,76)77)41-14-24-47-49(30-41)58(85)81(56(47)83)43-10-6-9-37(28-43)59(3,62(66,67)68)36-8-5-7-35(27-36)54-79-51-32-39(16-26-53(51)88-54)60(4,63(69,70)71)38-15-25-52-50(31-38)78-34(2)86-52/h5-32H,1-4H3
InChIKeyGSUBARUMVJCGBN-UHFFFAOYSA-N
XLogP16.79
TPSA136.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.03
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione?
The IUPAC name of 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione (CID 122434860) is 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione is Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5cccc(C(C)(c7cccc(-c8nc9cc(C(C)(c%10ccc%11oc(C)nc%11c%10)C(F)(F)F)ccc9o8)c7)C(F)(F)F)c5)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)cc1.
What is the InChIKey of 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione?
The InChIKey is GSUBARUMVJCGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40F12N4O7/c1-33-11-19-44(20-12-33)87-45-21-17-42(18-22-45)80-55(82)46-23-13-40(29-48(46)57(80)84)61(64(72,73)74,65(75,76)77)41-14-24-47-49(30-41)58(85)81(56(47)83)43-10-6-9-37(28-43)59(3,62(66,67)68)36-8-5-7-35(27-36)54-79-51-32-39(16-26-53(51)88-54)60(4,63(69,70)71)38-15-25-52-50(31-38)78-34(2)86-52/h5-32H,1-4H3.
What are the key properties of 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione?
5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione has a molecular weight of 1217.03 g/mol, XLogP of 16.79, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1,3-dioxo-2-[3-[1,1,1-trifluoro-2-[3-[5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]propan-2-yl]phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 122434860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).