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

C141H153N15O6 — CID 159389428

IUPAC9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1cc(C(C)(C)C)cc(C)c1N1c2ccccc2Oc2c1ccnc2C.Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnccc1O2.Cc1ccc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ccncc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ncccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cncc2c1Oc1cnncc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/4C24H26N2O.C23H25N3O.C22H24N4O/c1-15-7-8-19-22(11-15)27-21-9-10-25-14-20(21)26(19)23-16(2)12-18(13-17(23)3)24(4,5)6;1-15-9-10-19-21(12-15)27-20-8-7-11-25-23(20)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-9-10-19-21(12-15)27-23-20(8-7-11-25-23)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-13-18(24(4,5)6)14-16(2)22(15)26-19-9-7-8-10-21(19)27-23-17(3)25-12-11-20(23)26;1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-12-24-8-7-20(18)27-21-11-16(3)25-13-19(21)26;1-13-7-16(22(4,5)6)8-14(2)20(13)26-17-11-24-25-12-19(17)27-21-15(3)9-23-10-18(21)26/h4*7-14H,1-6H3;7-13H,1-6H3;7-12H,1-6H3
InChIKeyLLXQFDKVXDMREB-UHFFFAOYSA-N
MW2153.87 g/mol
LogP39.46
Rot. Bonds6

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

9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine (PubChem CID 159389428) has the molecular formula C141H153N15O6 and a molecular weight of 2153.87 g/mol. Its IUPAC name is 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine
PubChem CID159389428
Molecular FormulaC141H153N15O6
Molecular Weight2153.87 g/mol
Exact Mass2152.21
IUPAC Name9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1cc(C(C)(C)C)cc(C)c1N1c2ccccc2Oc2c1ccnc2C.Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnccc1O2.Cc1ccc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ccncc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ncccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cncc2c1Oc1cnncc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/4C24H26N2O.C23H25N3O.C22H24N4O/c1-15-7-8-19-22(11-15)27-21-9-10-25-14-20(21)26(19)23-16(2)12-18(13-17(23)3)24(4,5)6;1-15-9-10-19-21(12-15)27-20-8-7-11-25-23(20)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-9-10-19-21(12-15)27-23-20(8-7-11-25-23)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-13-18(24(4,5)6)14-16(2)22(15)26-19-9-7-8-10-21(19)27-23-17(3)25-12-11-20(23)26;1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-12-24-8-7-20(18)27-21-11-16(3)25-13-19(21)26;1-13-7-16(22(4,5)6)8-14(2)20(13)26-17-11-24-25-12-19(17)27-21-15(3)9-23-10-18(21)26/h4*7-14H,1-6H3;7-13H,1-6H3;7-12H,1-6H3
InChIKeyLLXQFDKVXDMREB-UHFFFAOYSA-N
XLogP39.46
TPSA190.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002153.87
LogP ≤ 539.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine?
The IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine (CID 159389428) is 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine?
The canonical SMILES for 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine is Cc1cc(C(C)(C)C)cc(C)c1N1c2ccccc2Oc2c1ccnc2C.Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnccc1O2.Cc1ccc2c(c1)Oc1cccnc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ccncc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1ccc2c(c1)Oc1ncccc1N2c1c(C)cc(C(C)(C)C)cc1C.Cc1cncc2c1Oc1cnncc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine?
The InChIKey is LLXQFDKVXDMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H26N2O.C23H25N3O.C22H24N4O/c1-15-7-8-19-22(11-15)27-21-9-10-25-14-20(21)26(19)23-16(2)12-18(13-17(23)3)24(4,5)6;1-15-9-10-19-21(12-15)27-20-8-7-11-25-23(20)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-9-10-19-21(12-15)27-23-20(8-7-11-25-23)26(19)22-16(2)13-18(14-17(22)3)24(4,5)6;1-15-13-18(24(4,5)6)14-16(2)22(15)26-19-9-7-8-10-21(19)27-23-17(3)25-12-11-20(23)26;1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-12-24-8-7-20(18)27-21-11-16(3)25-13-19(21)26;1-13-7-16(22(4,5)6)8-14(2)20(13)26-17-11-24-25-12-19(17)27-21-15(3)9-23-10-18(21)26/h4*7-14H,1-6H3;7-13H,1-6H3;7-12H,1-6H3.
What are the key properties of 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine?
9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine has a molecular weight of 2153.87 g/mol, XLogP of 39.46, 6 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2,6-dimethylphenyl)-14-methyl-2-oxa-5,6,9,12-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3,5,7,11,13-hexaene;2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,5,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-(4-tert-butyl-2,6-dimethylphenyl)-1-methylpyrido[3,4-b][1,4]benzoxazine;5-(4-tert-butyl-2,6-dimethylphenyl)-8-methylpyrido[2,3-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[3,2-b][1,4]benzoxazine;10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyrido[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 159389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).