ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate

C148H157N21O27 — CID 158942454

IUPACethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate
SMILESC=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)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)Oc1ccc2c(c1)n1n(-c3ccccc3O)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.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21
InChIInChI=1S/C27H33N3O5.C24H27N3O5.C23H27N3O3.C21H21N3O5.C20H21N3O3.C17H15N3O3.C16H13N3O3/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;1-8-29-21(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;1-6-26-19(25)13-7-8-15-16(11-13)22-21(15)23(22)17-10-12(2)9-14(18(17)24)20(3,4)5;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;1-10(2)16(21)22-11-7-8-12-14(9-11)19-17(12)18(19)13-5-3-4-6-15(13)20/h9-10,13-15,31H,1,11-12H2,2-8H3;7-8,11-13,28H,1,9-10H2,2-6H3;8-13,27H,1H2,2-7H3;5-6,9-11,25H,1,7-8H2,2-4H3;6-11,24H,1H2,2-5H3;4-9,21H,1H2,2-3H3;3-9,20H,1H2,2H3
InChIKeyJKKONWFYDVYECS-UHFFFAOYSA-N
MW2662.00 g/mol
LogP26.73
Rot. Bonds30

About ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate

ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate (PubChem CID 158942454) has the molecular formula C148H157N21O27 and a molecular weight of 2662.00 g/mol. Its IUPAC name is ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate.

Molecular Properties

Compound Nameethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate
PubChem CID158942454
Molecular FormulaC148H157N21O27
Molecular Weight2662.00 g/mol
Exact Mass2660.16
IUPAC Nameethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate
SMILESC=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)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)Oc1ccc2c(c1)n1n(-c3ccccc3O)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.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21
InChIInChI=1S/C27H33N3O5.C24H27N3O5.C23H27N3O3.C21H21N3O5.C20H21N3O3.C17H15N3O3.C16H13N3O3/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;1-8-29-21(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;1-6-26-19(25)13-7-8-15-16(11-13)22-21(15)23(22)17-10-12(2)9-14(18(17)24)20(3,4)5;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;1-10(2)16(21)22-11-7-8-12-14(9-11)19-17(12)18(19)13-5-3-4-6-15(13)20/h9-10,13-15,31H,1,11-12H2,2-8H3;7-8,11-13,28H,1,9-10H2,2-6H3;8-13,27H,1H2,2-7H3;5-6,9-11,25H,1,7-8H2,2-4H3;6-11,24H,1H2,2-5H3;4-9,21H,1H2,2-3H3;3-9,20H,1H2,2H3
InChIKeyJKKONWFYDVYECS-UHFFFAOYSA-N
XLogP26.73
TPSA500.86 Ų
H-Bond Donors7
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.00
LogP ≤ 526.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1048

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate?
The IUPAC name of ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate (CID 158942454) is ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-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-tert-butyl-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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate?
The canonical SMILES for ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-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)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)Oc1ccc2c(c1)n1n(-c3ccccc3O)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.C=COC(=O)c1ccc2c(c1)n1n(-c3cc(C)cc(C(C)(C)C)c3O)n21.
What is the InChIKey of ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate?
The InChIKey is JKKONWFYDVYECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5.C24H27N3O5.C23H27N3O3.C21H21N3O5.C20H21N3O3.C17H15N3O3.C16H13N3O3/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;1-8-29-21(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;1-6-26-19(25)13-7-8-15-16(11-13)22-21(15)23(22)17-10-12(2)9-14(18(17)24)20(3,4)5;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;1-10(2)16(21)22-11-7-8-12-14(9-11)19-17(12)18(19)13-5-3-4-6-15(13)20/h9-10,13-15,31H,1,11-12H2,2-8H3;7-8,11-13,28H,1,9-10H2,2-6H3;8-13,27H,1H2,2-7H3;5-6,9-11,25H,1,7-8H2,2-4H3;6-11,24H,1H2,2-5H3;4-9,21H,1H2,2-3H3;3-9,20H,1H2,2H3.
What are the key properties of ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate?
ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate has a molecular weight of 2662.00 g/mol, XLogP of 26.73, 30 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 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;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;[8-(2-hydroxyphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-yl] 2-methylprop-2-enoate;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-(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-(2-hydroxy-4,5-dimethylphenyl)-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-triene-3-carboxylate is sourced from PubChem (CID 158942454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).