7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione

C23H25N3O2 — CID 2927992

IUPAC7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESCc1cc(C)c(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccccc2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-14-12-15(2)19(16(3)13-14)26-22(27)18-20(17-8-5-4-6-9-17)24-10-7-11-25(24)21(18)23(26)28/h4-6,8-9,12-13,18,20-21H,7,10-11H2,1-3H3
InChIKeyYJSFSCDGKNCDTQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.15
Rot. Bonds2

About 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione

7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione (PubChem CID 2927992) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.

Molecular Properties

Compound Name7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
PubChem CID2927992
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
SMILESCc1cc(C)c(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccccc2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-14-12-15(2)19(16(3)13-14)26-22(27)18-20(17-8-5-4-6-9-17)24-10-7-11-25(24)21(18)23(26)28/h4-6,8-9,12-13,18,20-21H,7,10-11H2,1-3H3
InChIKeyYJSFSCDGKNCDTQ-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The IUPAC name of 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione (CID 2927992) is 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
What is the SMILES notation for 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The canonical SMILES for 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione is Cc1cc(C)c(N2C(=O)C3C(C2=O)N2CCCN2C3c2ccccc2)c(C)c1.
What is the InChIKey of 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione?
The InChIKey is YJSFSCDGKNCDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-12-15(2)19(16(3)13-14)26-22(27)18-20(17-8-5-4-6-9-17)24-10-7-11-25(24)21(18)23(26)28/h4-6,8-9,12-13,18,20-21H,7,10-11H2,1-3H3.
What are the key properties of 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione?
7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione has a molecular weight of 375.47 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-(2,4,6-trimethylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione is sourced from PubChem (CID 2927992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).