10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

C25H25N3O — CID 10110513

IUPAC10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCOc1ccc(-c2c(C)nn3c(-c4ccccc4C)c4c(nc23)CCC4)c(C)c1
InChIInChI=1S/C25H25N3O/c1-15-8-5-6-9-20(15)24-21-10-7-11-22(21)26-25-23(17(3)27-28(24)25)19-13-12-18(29-4)14-16(19)2/h5-6,8-9,12-14H,7,10-11H2,1-4H3
InChIKeyITLFAEVNLGSFFF-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.49
Rot. Bonds3

About 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (PubChem CID 10110513) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.

Molecular Properties

Compound Name10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
PubChem CID10110513
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
SMILESCOc1ccc(-c2c(C)nn3c(-c4ccccc4C)c4c(nc23)CCC4)c(C)c1
InChIInChI=1S/C25H25N3O/c1-15-8-5-6-9-20(15)24-21-10-7-11-22(21)26-25-23(17(3)27-28(24)25)19-13-12-18(29-4)14-16(19)2/h5-6,8-9,12-14H,7,10-11H2,1-4H3
InChIKeyITLFAEVNLGSFFF-UHFFFAOYSA-N
XLogP5.49
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The IUPAC name of 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene (CID 10110513) is 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene.
What is the SMILES notation for 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The canonical SMILES for 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is COc1ccc(-c2c(C)nn3c(-c4ccccc4C)c4c(nc23)CCC4)c(C)c1.
What is the InChIKey of 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
The InChIKey is ITLFAEVNLGSFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-15-8-5-6-9-20(15)24-21-10-7-11-22(21)26-25-23(17(3)27-28(24)25)19-13-12-18(29-4)14-16(19)2/h5-6,8-9,12-14H,7,10-11H2,1-4H3.
What are the key properties of 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene?
10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene has a molecular weight of 383.50 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxy-2-methylphenyl)-11-methyl-2-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene is sourced from PubChem (CID 10110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).