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

C55H38F6N4O8 — CID 58239551

IUPAC5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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(c8ccc9c(c8)C(=O)N(C)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)c4C)C5=O)cc3C2=O)c(C)c1C
InChIInChI=1S/C55H38F6N4O8/c1-23-17-24(2)42(28(6)27(23)5)63-47(68)35-13-9-30(19-38(35)50(63)71)31-10-14-36-39(20-31)51(72)64(48(36)69)43-25(3)18-26(4)44(29(43)7)65-49(70)37-16-12-33(22-41(37)52(65)73)53(54(56,57)58,55(59,60)61)32-11-15-34-40(21-32)46(67)62(8)45(34)66/h9-22H,1-8H3
InChIKeyHLAGTFYSMFRSJH-UHFFFAOYSA-N
MW996.92 g/mol
LogP10.55
Rot. Bonds6

About 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione (PubChem CID 58239551) has the molecular formula C55H38F6N4O8 and a molecular weight of 996.92 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione
PubChem CID58239551
Molecular FormulaC55H38F6N4O8
Molecular Weight996.92 g/mol
Exact Mass996.26
IUPAC Name5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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(c8ccc9c(c8)C(=O)N(C)C9=O)(C(F)(F)F)C(F)(F)F)cc7C6=O)c4C)C5=O)cc3C2=O)c(C)c1C
InChIInChI=1S/C55H38F6N4O8/c1-23-17-24(2)42(28(6)27(23)5)63-47(68)35-13-9-30(19-38(35)50(63)71)31-10-14-36-39(20-31)51(72)64(48(36)69)43-25(3)18-26(4)44(29(43)7)65-49(70)37-16-12-33(22-41(37)52(65)73)53(54(56,57)58,55(59,60)61)32-11-15-34-40(21-32)46(67)62(8)45(34)66/h9-22H,1-8H3
InChIKeyHLAGTFYSMFRSJH-UHFFFAOYSA-N
XLogP10.55
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.92
LogP ≤ 510.55
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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione (CID 58239551) is 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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(c8ccc9c(c8)C(=O)N(C)C9=O)(C(F)(F)F)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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione?
The InChIKey is HLAGTFYSMFRSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F6N4O8/c1-23-17-24(2)42(28(6)27(23)5)63-47(68)35-13-9-30(19-38(35)50(63)71)31-10-14-36-39(20-31)51(72)64(48(36)69)43-25(3)18-26(4)44(29(43)7)65-49(70)37-16-12-33(22-41(37)52(65)73)53(54(56,57)58,55(59,60)61)32-11-15-34-40(21-32)46(67)62(8)45(34)66/h9-22H,1-8H3.
What are the key properties of 5-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione has a molecular weight of 996.92 g/mol, XLogP of 10.55, 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-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2,4,6-trimethylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 58239551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).