ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate

C176H188N24O36 — CID 160932536

About ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate

ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate (PubChem CID 160932536) has the molecular formula C176H188N24O36 and a molecular weight of 3215.57 g/mol. Its IUPAC name is ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate.

Molecular Properties

• Compound Name: ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate
• PubChem CID: 160932536
• Molecular Formula: C176H188N24O36
• Molecular Weight: 3215.57 g/mol
• Exact Mass: 3213.36
• IUPAC Name: ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate
• SMILES: C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)ccc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(CC)ccc3O)n21.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21
• InChI: InChI=1S/C27H33N3O5.C24H27N3O5.C23H25N3O5.C23H27N3O3.2C21H21N3O5.C20H19N3O5.C17H15N3O3/c1-16(2)24(32)34-11-12-35-25(33)17-9-10-20-21(13-17)29-28(20)30(29)22-15-18(26(3,4)5)14-19(23(22)31)27(6,7)8;1-14(2)22(29)31-9-10-32-23(30)16-7-8-18-19(13-16)26-25(18)27(26)20-12-15(3)11-17(21(20)28)24(4,5)6;1-14(2)21(28)30-10-11-31-22(29)15-6-8-17-18(12-15)25-24(17)26(25)19-13-16(23(3,4)5)7-9-20(19)27;1-8-29-21(28)14-9-10-17-18(11-14)25-24(17)26(25)19-13-15(22(2,3)4)12-16(20(19)27)23(5,6)7;1-12(2)20(26)28-7-8-29-21(27)15-5-6-16-17(11-15)23-22(16)24(23)18-9-13(3)14(4)10-19(18)25;1-4-14-5-8-19(25)18(11-14)24-22-16-7-6-15(12-17(16)23(22)24)21(27)29-10-9-28-20(26)13(2)3;1-12(2)19(25)27-8-9-28-20(26)14-5-6-15-16(11-14)22-21(15)23(22)17-10-13(3)4-7-18(17)24;1-4-23-17(22)12-5-6-13-14(9-12)19-18(13)20(19)15-7-10(2)11(3)8-16(15)21/h9-10,13-15,31H,1,11-12H2,2-8H3;7-8,11-13,28H,1,9-10H2,2-6H3;6-9,12-13,27H,1,10-11H2,2-5H3;8-13,27H,1H2,2-7H3;5-6,9-11,25H,1,7-8H2,2-4H3;5-8,11-12,25H,2,4,9-10H2,1,3H3;4-7,10-11,24H,1,8-9H2,2-3H3;4-9,21H,1H2,2-3H3
• InChIKey: STLIBBSOYSPSBF-UHFFFAOYSA-N
• XLogP: 29.46
• TPSA: 640.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 60
• Rotatable Bonds: 43
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3215.57
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate (CID 160932536) is ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate.

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

The canonical SMILES for ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate is C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C)ccc3O)n21.C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(CC)ccc3O)n21.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n21.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C)c(C)cc3O)n21.

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

The InChIKey is STLIBBSOYSPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5.C24H27N3O5.C23H25N3O5.C23H27N3O3.2C21H21N3O5.C20H19N3O5.C17H15N3O3/c1-16(2)24(32)34-11-12-35-25(33)17-9-10-20-21(13-17)29-28(20)30(29)22-15-18(26(3,4)5)14-19(23(22)31)27(6,7)8;1-14(2)22(29)31-9-10-32-23(30)16-7-8-18-19(13-16)26-25(18)27(26)20-12-15(3)11-17(21(20)28)24(4,5)6;1-14(2)21(28)30-10-11-31-22(29)15-6-8-17-18(12-15)25-24(17)26(25)19-13-16(23(3,4)5)7-9-20(19)27;1-8-29-21(28)14-9-10-17-18(11-14)25-24(17)26(25)19-13-15(22(2,3)4)12-16(20(19)27)23(5,6)7;1-12(2)20(26)28-7-8-29-21(27)15-5-6-16-17(11-15)23-22(16)24(23)18-9-13(3)14(4)10-19(18)25;1-4-14-5-8-19(25)18(11-14)24-22-16-7-6-15(12-17(16)23(22)24)21(27)29-10-9-28-20(26)13(2)3;1-12(2)19(25)27-8-9-28-20(26)14-5-6-15-16(11-14)22-21(15)23(22)17-10-13(3)4-7-18(17)24;1-4-23-17(22)12-5-6-13-14(9-12)19-18(13)20(19)15-7-10(2)11(3)8-16(15)21/h9-10,13-15,31H,1,11-12H2,2-8H3;7-8,11-13,28H,1,9-10H2,2-6H3;6-9,12-13,27H,1,10-11H2,2-5H3;8-13,27H,1H2,2-7H3;5-6,9-11,25H,1,7-8H2,2-4H3;5-8,11-12,25H,2,4,9-10H2,1,3H3;4-7,10-11,24H,1,8-9H2,2-3H3;4-9,21H,1H2,2-3H3.

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

ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate has a molecular weight of 3215.57 g/mol, XLogP of 29.46, 43 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;ethenyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3-tert-butyl-2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-tert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(5-ethyl-2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl 8-(2-hydroxy-5-methylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate is sourced from PubChem (CID 160932536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).