5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione

C55H41F3N4O8 — CID 20586807

IUPAC5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc(C(C)(c8ccc9c(c8)C(=O)N(C)C9=O)C(F)(F)F)cc7C6=O)c4C)C5=O)cc3C2=O)c(C)c1C
InChIInChI=1S/C55H41F3N4O8/c1-24-18-25(2)43(29(6)28(24)5)60-48(65)36-14-10-31(20-39(36)51(60)68)32-11-15-37-40(21-32)52(69)61(49(37)66)44-26(3)19-27(4)45(30(44)7)62-50(67)38-17-13-34(23-42(38)53(62)70)54(8,55(56,57)58)33-12-16-35-41(22-33)47(64)59(9)46(35)63/h10-23H,1-9H3
InChIKeyMWYBNVIYEHNDRJ-UHFFFAOYSA-N
MW942.95 g/mol
LogP10.01
Rot. Bonds6

About 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione

5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione (PubChem CID 20586807) has the molecular formula C55H41F3N4O8 and a molecular weight of 942.95 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione
PubChem CID20586807
Molecular FormulaC55H41F3N4O8
Molecular Weight942.95 g/mol
Exact Mass942.29
IUPAC Name5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc(C(C)(c8ccc9c(c8)C(=O)N(C)C9=O)C(F)(F)F)cc7C6=O)c4C)C5=O)cc3C2=O)c(C)c1C
InChIInChI=1S/C55H41F3N4O8/c1-24-18-25(2)43(29(6)28(24)5)60-48(65)36-14-10-31(20-39(36)51(60)68)32-11-15-37-40(21-32)52(69)61(49(37)66)44-26(3)19-27(4)45(30(44)7)62-50(67)38-17-13-34(23-42(38)53(62)70)54(8,55(56,57)58)33-12-16-35-41(22-33)47(64)59(9)46(35)63/h10-23H,1-9H3
InChIKeyMWYBNVIYEHNDRJ-UHFFFAOYSA-N
XLogP10.01
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.95
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione (CID 20586807) is 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione is Cc1cc(C)c(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(c4c(C)cc(C)c(N6C(=O)c7ccc(C(C)(c8ccc9c(c8)C(=O)N(C)C9=O)C(F)(F)F)cc7C6=O)c4C)C5=O)cc3C2=O)c(C)c1C.
What is the InChIKey of 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione?
The InChIKey is MWYBNVIYEHNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41F3N4O8/c1-24-18-25(2)43(29(6)28(24)5)60-48(65)36-14-10-31(20-39(36)51(60)68)32-11-15-37-40(21-32)52(69)61(49(37)66)44-26(3)19-27(4)45(30(44)7)62-50(67)38-17-13-34(23-42(38)53(62)70)54(8,55(56,57)58)33-12-16-35-41(22-33)47(64)59(9)46(35)63/h10-23H,1-9H3.
What are the key properties of 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione?
5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione has a molecular weight of 942.95 g/mol, XLogP of 10.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 20586807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).