2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine

C119H129N11O5 — CID 159316023

About 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine

2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine (PubChem CID 159316023) has the molecular formula C119H129N11O5 and a molecular weight of 1793.41 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine
• PubChem CID: 159316023
• Molecular Formula: C119H129N11O5
• Molecular Weight: 1793.41 g/mol
• Exact Mass: 1792.02
• IUPAC Name: 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine
• SMILES: Cc1cc2c(cn1)Oc1ccccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccncc1O2.Cc1ccc2c(n1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2.Cc1ccc2c(n1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ncccc1O2.Cc1cnc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2
• InChI: InChI=1S/4C24H26N2O.C23H25N3O/c1-15-7-8-21-20(11-15)26(19-9-10-25-14-22(19)27-21)23-16(2)12-18(13-17(23)3)24(4,5)6;1-15-11-18(24(4,5)6)12-16(2)23(15)26-19-9-7-8-10-21(19)27-22-14-25-17(3)13-20(22)26;1-15-11-20-23(25-14-15)27-21-10-8-7-9-19(21)26(20)22-16(2)12-18(13-17(22)3)24(4,5)6;1-15-13-18(24(4,5)6)14-16(2)22(15)26-19-9-7-8-10-20(19)27-21-12-11-17(3)25-23(21)26;1-14-12-17(23(4,5)6)13-15(2)20(14)26-21-18(8-7-11-24-21)27-19-10-9-16(3)25-22(19)26/h4*7-14H,1-6H3;7-13H,1-6H3
• InChIKey: LDDJFKVCCVULGM-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 139.69 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 5
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.41
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine?

The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine (CID 159316023) is 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine.

What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine?

The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine is Cc1cc2c(cn1)Oc1ccccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccncc1O2.Cc1ccc2c(n1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2.Cc1ccc2c(n1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ncccc1O2.Cc1cnc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2.

What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine?

The InChIKey is LDDJFKVCCVULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H26N2O.C23H25N3O/c1-15-7-8-21-20(11-15)26(19-9-10-25-14-22(19)27-21)23-16(2)12-18(13-17(23)3)24(4,5)6;1-15-11-18(24(4,5)6)12-16(2)23(15)26-19-9-7-8-10-21(19)27-22-14-25-17(3)13-20(22)26;1-15-11-20-23(25-14-15)27-21-10-8-7-9-19(21)26(20)22-16(2)12-18(13-17(22)3)24(4,5)6;1-15-13-18(24(4,5)6)14-16(2)22(15)26-19-9-7-8-10-20(19)27-21-12-11-17(3)25-23(21)26;1-14-12-17(23(4,5)6)13-15(2)20(14)26-21-18(8-7-11-24-21)27-19-10-9-16(3)25-22(19)26/h4*7-14H,1-6H3;7-13H,1-6H3.

What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine?

2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine has a molecular weight of 1793.41 g/mol, XLogP of 33.79, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[2,3-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,4-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 159316023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).