2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C19H12ClN3 — CID 118652415

IUPAC2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyKTTRHLOWOKRRKS-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 118652415) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID118652415
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyKTTRHLOWOKRRKS-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-naphthalen-2-yl-6-phenyl-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-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 118652415) is 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is KTTRHLOWOKRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-22-17(14-7-2-1-3-8-14)21-18(23-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 317.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118652415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).