10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

C23H20F3N3 — CID 137410547

IUPAC10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCc1ccccc1N1c2cc(C(F)(F)F)cnc2N2c3ccccc3C(C)(C)C12
InChIInChI=1S/C23H20F3N3/c1-14-8-4-6-10-17(14)28-19-12-15(23(24,25)26)13-27-20(19)29-18-11-7-5-9-16(18)22(2,3)21(28)29/h4-13,21H,1-3H3
InChIKeyCTTQHSQVGLIAGR-UHFFFAOYSA-N
MW395.43 g/mol
LogP6.32
Rot. Bonds1

About 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (PubChem CID 137410547) has the molecular formula C23H20F3N3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.

Molecular Properties

Compound Name10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
PubChem CID137410547
Molecular FormulaC23H20F3N3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCc1ccccc1N1c2cc(C(F)(F)F)cnc2N2c3ccccc3C(C)(C)C12
InChIInChI=1S/C23H20F3N3/c1-14-8-4-6-10-17(14)28-19-12-15(23(24,25)26)13-27-20(19)29-18-11-7-5-9-16(18)22(2,3)21(28)29/h4-13,21H,1-3H3
InChIKeyCTTQHSQVGLIAGR-UHFFFAOYSA-N
XLogP6.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The IUPAC name of 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (CID 137410547) is 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.
What is the SMILES notation for 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The canonical SMILES for 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is Cc1ccccc1N1c2cc(C(F)(F)F)cnc2N2c3ccccc3C(C)(C)C12.
What is the InChIKey of 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The InChIKey is CTTQHSQVGLIAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3/c1-14-8-4-6-10-17(14)28-19-12-15(23(24,25)26)13-27-20(19)29-18-11-7-5-9-16(18)22(2,3)21(28)29/h4-13,21H,1-3H3.
What are the key properties of 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene has a molecular weight of 395.43 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-8-(2-methylphenyl)-5-(trifluoromethyl)-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is sourced from PubChem (CID 137410547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).