5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C73H64N4O12 — CID 158783873

About 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 158783873) has the molecular formula C73H64N4O12 and a molecular weight of 1189.33 g/mol. Its IUPAC name is 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
• PubChem CID: 158783873
• Molecular Formula: C73H64N4O12
• Molecular Weight: 1189.33 g/mol
• Exact Mass: 1188.45
• IUPAC Name: 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
• SMILES: CC1CC(C)(C)CC(C)(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)C1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6C5=O)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C45H34N2O7.C28H30N2O5/c1-27-5-13-31(14-6-27)52-32-15-7-28(8-16-32)45(2,3)29-9-17-33(18-10-29)53-34-19-11-30(12-20-34)47-43(50)38-24-22-36(26-40(38)44(47)51)54-35-21-23-37-39(25-35)42(49)46(4)41(37)48;1-16-12-27(2,3)14-28(4,13-16)15-30-25(33)20-9-7-18(11-22(20)26(30)34)35-17-6-8-19-21(10-17)24(32)29(5)23(19)31/h5-26H,1-4H3;6-11,16H,12-15H2,1-5H3
• InChIKey: IRKUYLIOIUFJFR-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 186.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.33
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?

The IUPAC name of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 158783873) is 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

What is the SMILES notation for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?

The canonical SMILES for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is CC1CC(C)(C)CC(C)(CN2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)C1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N5C(=O)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6C5=O)cc4)cc3)cc2)cc1.

What is the InChIKey of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?

The InChIKey is IRKUYLIOIUFJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2O7.C28H30N2O5/c1-27-5-13-31(14-6-27)52-32-15-7-28(8-16-32)45(2,3)29-9-17-33(18-10-29)53-34-19-11-30(12-20-34)47-43(50)38-24-22-36(26-40(38)44(47)51)54-35-21-23-37-39(25-35)42(49)46(4)41(37)48;1-16-12-27(2,3)14-28(4,13-16)15-30-25(33)20-9-7-18(11-22(20)26(30)34)35-17-6-8-19-21(10-17)24(32)29(5)23(19)31/h5-26H,1-4H3;6-11,16H,12-15H2,1-5H3.

What are the key properties of 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?

5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 1189.33 g/mol, XLogP of 14.88, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,3-dioxo-2-[(1,3,3,5-tetramethylcyclohexyl)methyl]isoindol-5-yl]oxy-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 158783873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).