2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine

C144H162N18O6 — CID 157331391

About 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine

2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine (PubChem CID 157331391) has the molecular formula C144H162N18O6 and a molecular weight of 2241.00 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine
• PubChem CID: 157331391
• Molecular Formula: C144H162N18O6
• Molecular Weight: 2241.00 g/mol
• Exact Mass: 2239.29
• IUPAC Name: 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine
• SMILES: Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccc(C)nc1O2.Cc1ccc2c(c1)Oc1cc(C)nnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1nc(C)cnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(n1)Oc1nc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cnc2c(c1)Oc1cc(C)ncc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cnc2c(c1)Oc1nc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C
• InChI: InChI=1S/6C24H27N3O/c1-14-8-21-23(26-12-14)27(19-13-25-17(4)11-20(19)28-21)22-15(2)9-18(10-16(22)3)24(5,6)7;1-14-12-18(24(5,6)7)13-15(2)21(14)27-19-10-8-16(3)25-22(19)28-23-20(27)11-9-17(4)26-23;1-14-10-18(24(5,6)7)11-15(2)22(14)27-19-9-8-16(3)26-23(19)28-21-12-17(4)25-13-20(21)27;1-14-10-20-22(25-13-14)27(19-9-8-17(4)26-23(19)28-20)21-15(2)11-18(12-16(21)3)24(5,6)7;1-14-8-9-19-20(10-14)28-23-22(25-13-17(4)26-23)27(19)21-15(2)11-18(12-16(21)3)24(5,6)7;1-14-8-9-19-20(10-14)28-21-13-17(4)25-26-23(21)27(19)22-15(2)11-18(12-16(22)3)24(5,6)7/h6*8-13H,1-7H3
• InChIKey: BFICBHVLEKFBQB-UHFFFAOYSA-N
• XLogP: 39.50
• TPSA: 229.50 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.00
LogP ≤ 5	39.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine?

The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine (CID 157331391) is 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine.

What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine?

The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine is Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccc(C)nc1O2.Cc1ccc2c(c1)Oc1cc(C)nnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1nc(C)cnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(n1)Oc1nc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cnc2c(c1)Oc1cc(C)ncc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cnc2c(c1)Oc1nc(C)ccc1N2c1c(C)cc(C(C)(C)C)cc1C.

What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine?

The InChIKey is BFICBHVLEKFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C24H27N3O/c1-14-8-21-23(26-12-14)27(19-13-25-17(4)11-20(19)28-21)22-15(2)9-18(10-16(22)3)24(5,6)7;1-14-12-18(24(5,6)7)13-15(2)21(14)27-19-10-8-16(3)25-22(19)28-23-20(27)11-9-17(4)26-23;1-14-10-18(24(5,6)7)11-15(2)22(14)27-19-9-8-16(3)26-23(19)28-21-12-17(4)25-13-20(21)27;1-14-10-20-22(25-13-14)27(19-9-8-17(4)26-23(19)28-20)21-15(2)11-18(12-16(21)3)24(5,6)7;1-14-8-9-19-20(10-14)28-23-22(25-13-17(4)26-23)27(19)21-15(2)11-18(12-16(21)3)24(5,6)7;1-14-8-9-19-20(10-14)28-21-13-17(4)25-26-23(21)27(19)22-15(2)11-18(12-16(22)3)24(5,6)7/h6*8-13H,1-7H3.

What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine?

2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine has a molecular weight of 2241.00 g/mol, XLogP of 39.50, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;9-(4-tert-butyl-2,6-dimethylphenyl)-5,13-dimethyl-2-oxa-4,9,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyrazino[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylpyridazino[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 157331391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).