5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione

C27H20N2O5 — CID 140839769

IUPAC5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C27H20N2O5/c1-13-9-15(3)22(10-14(13)2)29-26(33)19-8-6-17(12-21(19)27(29)34)23(30)16-5-7-18-20(11-16)25(32)28(4)24(18)31/h5-12H,1-4H3
InChIKeyANCHYNQBUCUMCN-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.87
Rot. Bonds3

About 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione

5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 140839769) has the molecular formula C27H20N2O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
PubChem CID140839769
Molecular FormulaC27H20N2O5
Molecular Weight452.47 g/mol
Exact Mass452.14
IUPAC Name5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C
InChIInChI=1S/C27H20N2O5/c1-13-9-15(3)22(10-14(13)2)29-26(33)19-8-6-17(12-21(19)27(29)34)23(30)16-5-7-18-20(11-16)25(32)28(4)24(18)31/h5-12H,1-4H3
InChIKeyANCHYNQBUCUMCN-UHFFFAOYSA-N
XLogP3.87
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

5-[2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 118569732
5-[2-[2,5-dimethyl-4-[2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 164725166
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777
5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 90180947
5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 71248232
2-[4-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102007666
5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-methylisoindole-1,3-dione;5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-phenylisoindole-1,3-dione;ethane;methylsulfonylmethane
CID 158942524
5-[2-[4-[(3,5-diethyl-4-methylphenyl)methyl]-2,6-diethylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 59445143
2-methyl-5-[2-[4-[3-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59936816
5-[2-[4-[(3,5-diethyl-4-methylphenyl)methyl]-2,6-diethylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;methane
CID 159204844
2-methyl-5-[2-[3-[5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59147895
2-(4-chloro-2,5-dimethoxyphenyl)-5-[2-(4-chloro-2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110707

Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione (CID 140839769) is 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione is Cc1cc(C)c(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C.
What is the InChIKey of 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
The InChIKey is ANCHYNQBUCUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O5/c1-13-9-15(3)22(10-14(13)2)29-26(33)19-8-6-17(12-21(19)27(29)34)23(30)16-5-7-18-20(11-16)25(32)28(4)24(18)31/h5-12H,1-4H3.
What are the key properties of 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione?
5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 452.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3-dioxo-2-(2,4,5-trimethylphenyl)isoindole-5-carbonyl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 140839769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).