2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane

C119H136N8O19 — CID 157295355

IUPAC2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane
SMILESCC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)n1c(=O)c2cc3c(=O)n(C(C)(C)C)c(=O)c3cc2c1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1.CC(C)C
InChIInChI=1S/C35H30N2O6.C24H24N2O5.C24H24N2O4.C18H20N2O4.C14H28.C4H10/c1-34(2,3)37-32(40)27-17-15-25(19-29(27)33(37)41)43-23-12-8-21(9-13-23)35(4,5)20-6-10-22(11-7-20)42-24-14-16-26-28(18-24)31(39)36-30(26)38;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)31-14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-17(2,3)19-13(21)9-7-11-12(8-10(9)14(19)22)16(24)20(15(11)23)18(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-4(2)3/h6-19H,1-5H3,(H,36,38,39);7-12H,1-6H3;7-12H,1-6H3;7-8H,1-6H3;11-12H,7-10H2,1-6H3;4H,1-3H3
InChIKeyBBGYOVHODRRFFN-UHFFFAOYSA-N
MW1982.43 g/mol
LogP23.26
Rot. Bonds9

About 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane

2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane (PubChem CID 157295355) has the molecular formula C119H136N8O19 and a molecular weight of 1982.43 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane.

Molecular Properties

Compound Name2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane
PubChem CID157295355
Molecular FormulaC119H136N8O19
Molecular Weight1982.43 g/mol
Exact Mass1980.99
IUPAC Name2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane
SMILESCC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)n1c(=O)c2cc3c(=O)n(C(C)(C)C)c(=O)c3cc2c1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1.CC(C)C
InChIInChI=1S/C35H30N2O6.C24H24N2O5.C24H24N2O4.C18H20N2O4.C14H28.C4H10/c1-34(2,3)37-32(40)27-17-15-25(19-29(27)33(37)41)43-23-12-8-21(9-13-23)35(4,5)20-6-10-22(11-7-20)42-24-14-16-26-28(18-24)31(39)36-30(26)38;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)31-14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-17(2,3)19-13(21)9-7-11-12(8-10(9)14(19)22)16(24)20(15(11)23)18(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-4(2)3/h6-19H,1-5H3,(H,36,38,39);7-12H,1-6H3;7-12H,1-6H3;7-8H,1-6H3;11-12H,7-10H2,1-6H3;4H,1-3H3
InChIKeyBBGYOVHODRRFFN-UHFFFAOYSA-N
XLogP23.26
TPSA338.90 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.43
LogP ≤ 523.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane with MolForge

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Related Compounds

1,2,3,4,5,6-Hexamethylbenzene;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;1,2,3,4,5-pentamethylbenzene;1,2,4,5-tetramethylbenzene
CID 157929027
Bis(1,3-dioxoisoindol-5-yl) butanedioate;bis(1,3-dioxoisoindol-5-yl) cyclohexane-1,4-dicarboxylate;bis(1,3-dioxoisoindol-5-yl) hexanedioate;bis(1,3-dioxoisoindol-5-yl) pentanedioate;[8-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl] 1,3-dioxoisoindole-5-carboxylate;[5-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4-hexafluoropentyl] 1,3-dioxoisoindole-5-carboxylate;[4-(1,3-dioxoisoindole-5-carbonyl)oxy-1,1,2,2,3,3,4,4-octafluorobutyl] 1,3-dioxoisoindole-5-carboxylate;[6-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3,4,4,5,5-octafluorohexyl] 1,3-dioxoisoindole-5-carboxylate;[4-(1,3-dioxoisoindole-5-carbonyl)oxy-2,2,3,3-tetrafluorobutyl] 1,3-dioxoisoindole-5-carboxylate;[2-(1,3-dioxoisoindole-5-carbonyl)oxy-1,1,2,2-tetrafluoroethyl] 1,3-dioxoisoindole-5-carboxylate
CID 160523267
5-(3-Acetylbenzoyl)-2-methylisoindole-1,3-dione;5-acetyl-2-methylisoindole-1,3-dione;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methylisoindole-1,3-dione;5-methoxy-2-methylisoindole-1,3-dione
CID 161057119
Bis(1,2,3,4,5,6-hexamethylbenzene);2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(2-(2-methylprop-2-enoyloxy)ethyl 3,5-dimethylbenzoate);2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;bis(1,3-xylene)
CID 161269545
4,10-Dimethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;2-[(2,4-dimethylphenoxy)methyl]oxirane;2-ethenoxyethyl 3,5-dimethylbenzoate;tris(1,2,3,4,5,6-hexamethylbenzene);methane;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methyl-4-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenol;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;yttrium
CID 161435334
5-[4-[2-[4-(1,3-Dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 15217129
2-Methyl-5-[4-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2,3,5-triphenylphenyl]-2,3,6-triphenylphenoxy]isoindole-1,3-dione
CID 19797769
2-Methyl-5-[3-methyl-4-[2-methyl-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-3,5-diphenylphenyl]-2,6-diphenylphenoxy]isoindole-1,3-dione
CID 19800393
2-[4-[2-(4-Methylcyclohexyl)propan-2-yl]cyclohexyl]-5-[4-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]butyl]isoindole-1,3-dione
CID 21344091
2-Methyl-5-[4-[2-[4-[2-[4-[4-[(4-methylphenyl)methyl]phenyl]butyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 21344094
4-[5-[4-[2-[4-[4-(4-Carboxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-4-yl]benzoic acid
CID 22630612
2-Cyclohexyl-5-[4-[2-[4-[2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 57572947

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane?
The IUPAC name of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane (CID 157295355) is 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane.
What is the SMILES notation for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane?
The canonical SMILES for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane is CC(C)(C)C1CCC(C(C)(C)C)CC1.CC(C)(C)N1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cc2C1=O.CC(C)(C)n1c(=O)c2cc3c(=O)n(C(C)(C)C)c(=O)c3cc2c1=O.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1.CC(C)C.
What is the InChIKey of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane?
The InChIKey is BBGYOVHODRRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O6.C24H24N2O5.C24H24N2O4.C18H20N2O4.C14H28.C4H10/c1-34(2,3)37-32(40)27-17-15-25(19-29(27)33(37)41)43-23-12-8-21(9-13-23)35(4,5)20-6-10-22(11-7-20)42-24-14-16-26-28(18-24)31(39)36-30(26)38;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)31-14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-23(2,3)25-19(27)15-9-7-13(11-17(15)21(25)29)14-8-10-16-18(12-14)22(30)26(20(16)28)24(4,5)6;1-17(2,3)19-13(21)9-7-11-12(8-10(9)14(19)22)16(24)20(15(11)23)18(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-4(2)3/h6-19H,1-5H3,(H,36,38,39);7-12H,1-6H3;7-12H,1-6H3;7-8H,1-6H3;11-12H,7-10H2,1-6H3;4H,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane?
2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane has a molecular weight of 1982.43 g/mol, XLogP of 23.26, 9 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione;2-tert-butyl-5-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxyisoindole-1,3-dione;2-tert-butyl-5-[4-[2-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;1,4-ditert-butylcyclohexane;2,6-ditert-butylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methylpropane is sourced from PubChem (CID 157295355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).