2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C83H58N6O13 — CID 161386711

IUPAC2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1.Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)cc4)cc2)C3=O)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C30H20N2O5.C29H22N2O4.C24H16N2O4/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33;1-18-3-8-21(9-4-18)30-27(32)20-7-16-25-26(17-20)29(34)31(28(25)33)22-10-14-24(15-11-22)35-23-12-5-19(2)6-13-23;1-13-3-7-16(8-4-13)26-23(29)18-10-6-15(12-20(18)24(26)30)14-5-9-17-19(11-14)22(28)25(2)21(17)27/h3-16H,1-2H3;3-17H,1-2H3,(H,30,32);3-12H,1-2H3
InChIKeyVSLGKDHTVLKLNR-UHFFFAOYSA-N
MW1347.41 g/mol
LogP15.32
Rot. Bonds11

About 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 161386711) has the molecular formula C83H58N6O13 and a molecular weight of 1347.41 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID161386711
Molecular FormulaC83H58N6O13
Molecular Weight1347.41 g/mol
Exact Mass1346.41
IUPAC Name2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1.Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)cc4)cc2)C3=O)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C30H20N2O5.C29H22N2O4.C24H16N2O4/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33;1-18-3-8-21(9-4-18)30-27(32)20-7-16-25-26(17-20)29(34)31(28(25)33)22-10-14-24(15-11-22)35-23-12-5-19(2)6-13-23;1-13-3-7-16(8-4-13)26-23(29)18-10-6-15(12-20(18)24(26)30)14-5-9-17-19(11-14)22(28)25(2)21(17)27/h3-16H,1-2H3;3-17H,1-2H3,(H,30,32);3-12H,1-2H3
InChIKeyVSLGKDHTVLKLNR-UHFFFAOYSA-N
XLogP15.32
TPSA234.46 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.41
LogP ≤ 515.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide with MolForge

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Related Compounds

N,N'-Bis[4-(4-aminophenoxy)phenyl]pyromellitic diimide
CID 572520
6-Methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22943204
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
2-[4-(4-Aminophenoxy)phenyl]-5-[2-[2-[4-(4-aminophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 19914845
2-[4-[5-Tert-butyl-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 20679359
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20727118
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
CID 20806757
2-Methyl-5-[1,2,2,2-tetrafluoro-1-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]ethyl]isoindole-1,3-dione
CID 22088872
5-[Difluoro-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]-2-methylisoindole-1,3-dione
CID 22974094
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 54085175
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56612456
6-Methyl-2-[4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56617366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 161386711) is 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1.Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc(C)cc4)cc2)C3=O)cc1.Cc1ccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.
What is the InChIKey of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VSLGKDHTVLKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O5.C29H22N2O4.C24H16N2O4/c1-17-3-9-21(10-4-17)37-22-11-7-20(8-12-22)32-29(35)24-14-6-19(16-26(24)30(32)36)18-5-13-23-25(15-18)28(34)31(2)27(23)33;1-18-3-8-21(9-4-18)30-27(32)20-7-16-25-26(17-20)29(34)31(28(25)33)22-10-14-24(15-11-22)35-23-12-5-19(2)6-13-23;1-13-3-7-16(8-4-13)26-23(29)18-10-6-15(12-20(18)24(26)30)14-5-9-17-19(11-14)22(28)25(2)21(17)27/h3-16H,1-2H3;3-17H,1-2H3,(H,30,32);3-12H,1-2H3.
What are the key properties of 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 1347.41 g/mol, XLogP of 15.32, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-[4-(4-methylphenoxy)phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 161386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).