[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate

C124H134N18O18 — CID 158796422

About [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate

[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate (PubChem CID 158796422) has the molecular formula C124H134N18O18 and a molecular weight of 2164.54 g/mol. Its IUPAC name is [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate
• PubChem CID: 158796422
• Molecular Formula: C124H134N18O18
• Molecular Weight: 2164.54 g/mol
• Exact Mass: 2163.01
• IUPAC Name: [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(CC)ccc3O)n21.C=CC(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21
• InChI: InChI=1S/C24H29N3O3.C23H27N3O3.C21H23N3O3.C20H21N3O3.2C18H17N3O3/c1-14(2)22(29)30-16-9-10-18-19(13-16)26-25(18)27(26)20-12-15(23(3,4)5)11-17(21(20)28)24(6,7)8;1-8-20(27)29-15-9-10-17-18(13-15)25-24(17)26(25)19-12-14(22(2,3)4)11-16(21(19)28)23(5,6)7;1-12(2)20(26)27-14-7-8-16-17(11-14)23-22(16)24(23)18-10-13(3)9-15(19(18)25)21(4,5)6;1-12(2)19(25)26-14-7-8-15-16(11-14)22-21(15)23(22)17-10-13(20(3,4)5)6-9-18(17)24;1-10(2)18(23)24-13-5-6-14-15(9-13)20-19(14)21(20)16-7-11(3)12(4)8-17(16)22;1-4-12-5-8-17(22)16(9-12)21-19-14-7-6-13(10-15(14)20(19)21)24-18(23)11(2)3/h9-13,28H,1H2,2-8H3;8-13,28H,1H2,2-7H3;7-11,25H,1H2,2-6H3;6-11,24H,1H2,2-5H3;5-9,22H,1H2,2-4H3;5-10,22H,2,4H2,1,3H3
• InChIKey: ISXLVTLFIRQWPR-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 361.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2164.54
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate?

The IUPAC name of [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate (CID 158796422) is [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate.

What is the SMILES notation for [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate?

The canonical SMILES for [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)Oc1ccc2c(c1)n1n(-c3cc(CC)ccc3O)n21.C=CC(=O)Oc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.

What is the InChIKey of [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate?

The InChIKey is ISXLVTLFIRQWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.C23H27N3O3.C21H23N3O3.C20H21N3O3.2C18H17N3O3/c1-14(2)22(29)30-16-9-10-18-19(13-16)26-25(18)27(26)20-12-15(23(3,4)5)11-17(21(20)28)24(6,7)8;1-8-20(27)29-15-9-10-17-18(13-15)25-24(17)26(25)19-12-14(22(2,3)4)11-16(21(19)28)23(5,6)7;1-12(2)20(26)27-14-7-8-16-17(11-14)23-22(16)24(23)18-10-13(3)9-15(19(18)25)21(4,5)6;1-12(2)19(25)26-14-7-8-15-16(11-14)22-21(15)23(22)17-10-13(20(3,4)5)6-9-18(17)24;1-10(2)18(23)24-13-5-6-14-15(9-13)20-19(14)21(20)16-7-11(3)12(4)8-17(16)22;1-4-12-5-8-17(22)16(9-12)21-19-14-7-6-13(10-15(14)20(19)21)24-18(23)11(2)3/h9-13,28H,1H2,2-8H3;8-13,28H,1H2,2-7H3;7-11,25H,1H2,2-6H3;6-11,24H,1H2,2-5H3;5-9,22H,1H2,2-4H3;5-10,22H,2,4H2,1,3H3.

What are the key properties of [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate?

[8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate has a molecular weight of 2164.54 g/mol, XLogP of 24.53, 19 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] prop-2-enoate;[8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;[8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 158796422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).