5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C17H18N2 — CID 118055302

IUPAC5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1ccc(-c2ccc3c4c2CCN4CCNC3)cc1
InChIInChI=1S/C17H18N2/c1-2-4-13(5-3-1)15-7-6-14-12-18-9-11-19-10-8-16(15)17(14)19/h1-7,18H,8-12H2
InChIKeyQOEKAPSWQOQBIM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.82
Rot. Bonds1

About 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055302) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055302
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1ccc(-c2ccc3c4c2CCN4CCNC3)cc1
InChIInChI=1S/C17H18N2/c1-2-4-13(5-3-1)15-7-6-14-12-18-9-11-19-10-8-16(15)17(14)19/h1-7,18H,8-12H2
InChIKeyQOEKAPSWQOQBIM-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene 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 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055302) is 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is c1ccc(-c2ccc3c4c2CCN4CCNC3)cc1.
What is the InChIKey of 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is QOEKAPSWQOQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-4-13(5-3-1)15-7-6-14-12-18-9-11-19-10-8-16(15)17(14)19/h1-7,18H,8-12H2.
What are the key properties of 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 250.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).