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

C23H25N3O — CID 59572362

IUPAC9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cc2c(cn1)Oc1cnccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-7-8-24-12-20(18)27-21-13-25-16(3)11-19(21)26/h7-13H,1-6H3
InChIKeyOPFQOVWOOYBYQK-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.27
Rot. Bonds1

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

9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572362) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572362
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cc2c(cn1)Oc1cnccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-7-8-24-12-20(18)27-21-13-25-16(3)11-19(21)26/h7-13H,1-6H3
InChIKeyOPFQOVWOOYBYQK-UHFFFAOYSA-N
XLogP6.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)-13-methyl-9-oxa-2,4,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572237
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
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
CID 59573352
5-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethylpyrimido[4,5-b][1,4]benzoxazine
CID 59572486
13-(4-tert-butyl-2,6-dimethylphenyl)-9,17-dimethyl-2-oxa-13-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 59572922
2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573258
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
CID 59572426
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
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573057
7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 134527326
6-(4-tert-butyl-2,6-dimethylphenyl)-2,9-dimethylquinolino[3,2-b][1,4]benzoxazine
CID 59572612
9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59344129

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572362) is 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cc2c(cn1)Oc1cnccc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is OPFQOVWOOYBYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14-9-17(23(4,5)6)10-15(2)22(14)26-18-7-8-24-12-20(18)27-21-13-25-16(3)11-19(21)26/h7-13H,1-6H3.
What are the key properties of 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 359.47 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).