4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C26H25N3O — CID 4098158

IUPAC4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccccc5)cc4c3c2C)cc1
InChIInChI=1S/C26H25N3O/c1-5-30-23-13-11-22(12-14-23)29-18(3)25-17(2)27-28-16-21(20-9-7-6-8-10-20)15-24(28)26(25)19(29)4/h6-16H,5H2,1-4H3
InChIKeyAAMJVYWVXNDRAG-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.27
Rot. Bonds4

About 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 4098158) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID4098158
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccccc5)cc4c3c2C)cc1
InChIInChI=1S/C26H25N3O/c1-5-30-23-13-11-22(12-14-23)29-18(3)25-17(2)27-28-16-21(20-9-7-6-8-10-20)15-24(28)26(25)19(29)4/h6-16H,5H2,1-4H3
InChIKeyAAMJVYWVXNDRAG-UHFFFAOYSA-N
XLogP6.27
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene 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 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 4098158) is 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is CCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccccc5)cc4c3c2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is AAMJVYWVXNDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-5-30-23-13-11-22(12-14-23)29-18(3)25-17(2)27-28-16-21(20-9-7-6-8-10-20)15-24(28)26(25)19(29)4/h6-16H,5H2,1-4H3.
What are the key properties of 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 395.51 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3,5,7-trimethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 4098158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).