2-phenanthren-1-yl-1,3,5-triazine

C17H11N3 — CID 174667753

IUPAC2-phenanthren-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1c(-c3ncncn3)cccc12
InChIInChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H
InChIKeySRJAJCRNKAWJTC-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.85
Rot. Bonds1

About 2-phenanthren-1-yl-1,3,5-triazine

2-phenanthren-1-yl-1,3,5-triazine (PubChem CID 174667753) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-phenanthren-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-1-yl-1,3,5-triazine
PubChem CID174667753
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-phenanthren-1-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1c(-c3ncncn3)cccc12
InChIInChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H
InChIKeySRJAJCRNKAWJTC-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenanthren-1-yl-1,3,5-triazine 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 2-phenanthren-1-yl-1,3,5-triazine?
The IUPAC name of 2-phenanthren-1-yl-1,3,5-triazine (CID 174667753) is 2-phenanthren-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-1-yl-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-1-yl-1,3,5-triazine is c1ccc2c(c1)ccc1c(-c3ncncn3)cccc12.
What is the InChIKey of 2-phenanthren-1-yl-1,3,5-triazine?
The InChIKey is SRJAJCRNKAWJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-5-13-12(4-1)8-9-15-14(13)6-3-7-16(15)17-19-10-18-11-20-17/h1-11H.
What are the key properties of 2-phenanthren-1-yl-1,3,5-triazine?
2-phenanthren-1-yl-1,3,5-triazine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-yl-1,3,5-triazine is sourced from PubChem (CID 174667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).