2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

C54H37F3N4O8 — CID 121312217

IUPAC2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C4CCC(C)CC4)C5=O)cc3C2=O)cc1C(F)(F)F
InChIInChI=1S/C54H37F3N4O8/c1-26-4-10-32(11-5-26)59-48(64)38-15-7-30(22-42(38)51(59)67)31-9-17-40-44(24-31)53(69)61(50(40)66)34-13-19-36(45(25-34)54(55,56)57)35-18-12-33(20-27(35)2)60-49(65)39-16-8-29(23-43(39)52(60)68)28-6-14-37-41(21-28)47(63)58(3)46(37)62/h6-9,12-26,32H,4-5,10-11H2,1-3H3
InChIKeyIVFZXOGNUDZRHR-UHFFFAOYSA-N
MW926.90 g/mol
LogP10.02
Rot. Bonds6

About 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione

2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (PubChem CID 121312217) has the molecular formula C54H37F3N4O8 and a molecular weight of 926.90 g/mol. Its IUPAC name is 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
PubChem CID121312217
Molecular FormulaC54H37F3N4O8
Molecular Weight926.90 g/mol
Exact Mass926.26
IUPAC Name2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C4CCC(C)CC4)C5=O)cc3C2=O)cc1C(F)(F)F
InChIInChI=1S/C54H37F3N4O8/c1-26-4-10-32(11-5-26)59-48(64)38-15-7-30(22-42(38)51(59)67)31-9-17-40-44(24-31)53(69)61(50(40)66)34-13-19-36(45(25-34)54(55,56)57)35-18-12-33(20-27(35)2)60-49(65)39-16-8-29(23-43(39)52(60)68)28-6-14-37-41(21-28)47(63)58(3)46(37)62/h6-9,12-26,32H,4-5,10-11H2,1-3H3
InChIKeyIVFZXOGNUDZRHR-UHFFFAOYSA-N
XLogP10.02
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.90
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione (CID 121312217) is 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C4CCC(C)CC4)C5=O)cc3C2=O)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
The InChIKey is IVFZXOGNUDZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37F3N4O8/c1-26-4-10-32(11-5-26)59-48(64)38-15-7-30(22-42(38)51(59)67)31-9-17-40-44(24-31)53(69)61(50(40)66)34-13-19-36(45(25-34)54(55,56)57)35-18-12-33(20-27(35)2)60-49(65)39-16-8-29(23-43(39)52(60)68)28-6-14-37-41(21-28)47(63)58(3)46(37)62/h6-9,12-26,32H,4-5,10-11H2,1-3H3.
What are the key properties of 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione?
2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione has a molecular weight of 926.90 g/mol, XLogP of 10.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[3-methyl-4-[4-[5-[2-(4-methylcyclohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 121312217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).