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

C155H176F6N8O24Y — CID 161435334

About 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

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 (PubChem CID 161435334) has the molecular formula C155H176F6N8O24Y and a molecular weight of 2738.04 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161435334
• Molecular Formula: C155H176F6N8O24Y
• Molecular Weight: 2738.04 g/mol
• Exact Mass: 2736.18
• IUPAC Name: 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
• SMILES: C.C.C.C.C=COCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)C2C3C=CC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1ccc(OCC2CO2)c(C)c1.[Y]
• InChI: InChI=1S/C21H15F3N2O4.C21H18N2O4.C18H12N2O5.C17H17F3O2.C14H14N2O4.C13H16O3.3C12H18.C11H14O2.4CH4.Y/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;1-19-15(21)11-5-3-9(7-13(11)17(19)23)25-10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-15-11(17)7-5-3-4-6(8(7)12(15)18)10-9(5)13(19)16(2)14(10)20;1-4-15-5-6-16-13(14)12-8-10(2)7-11(3)9-12;3*1-7-8(2)10(4)12(6)11(5)9(7)3;1-8-3-4-11(9(2)5-8)13-7-10-6-12-10;;;;;/h4-9H,1-3H3;5-10H,1-4H3;3-8H,1-2H3;4-9,21-22H,1-3H3;3-10H,1-2H3;4,7-9H,1,5-6H2,2-3H3;3*1-6H3;3-5,10H,6-7H2,1-2H3;4*1H4
• InChIKey: VYOMXYPRSVUCLZ-UHFFFAOYSA-N
• XLogP: 29.10
• TPSA: 406.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2738.04
LogP ≤ 5	29.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C.C=COCCOC(=O)c1cc(C)cc(C)c1.CN1C(=O)C2C3C=CC(C2C1=O)C1C(=O)N(C)C(=O)C31.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.CN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C(C)(c2ccc(O)c(C)c2)C(F)(F)F)ccc1O.Cc1ccc(OCC2CO2)c(C)c1.[Y].

What is the InChIKey of 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?

The InChIKey is VYOMXYPRSVUCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4.C21H18N2O4.C18H12N2O5.C17H17F3O2.C14H14N2O4.C13H16O3.3C12H18.C11H14O2.4CH4.Y/c1-20(21(22,23)24,10-4-6-12-14(8-10)18(29)25(2)16(12)27)11-5-7-13-15(9-11)19(30)26(3)17(13)28;1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;1-19-15(21)11-5-3-9(7-13(11)17(19)23)25-10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-10-8-12(4-6-14(10)21)16(3,17(18,19)20)13-5-7-15(22)11(2)9-13;1-15-11(17)7-5-3-4-6(8(7)12(15)18)10-9(5)13(19)16(2)14(10)20;1-4-15-5-6-16-13(14)12-8-10(2)7-11(3)9-12;3*1-7-8(2)10(4)12(6)11(5)9(7)3;1-8-3-4-11(9(2)5-8)13-7-10-6-12-10;;;;;/h4-9H,1-3H3;5-10H,1-4H3;3-8H,1-2H3;4-9,21-22H,1-3H3;3-10H,1-2H3;4,7-9H,1,5-6H2,2-3H3;3*1-6H3;3-5,10H,6-7H2,1-2H3;4*1H4;.

What are the key properties of 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?

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 has a molecular weight of 2738.04 g/mol, XLogP of 29.10, 16 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161435334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).