2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine

C29H18ClN3 — CID 171469861

IUPAC2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C29H18ClN3/c30-24-12-5-11-22(18-24)27-31-28(23-16-15-19-7-1-2-9-21(19)17-23)33-29(32-27)26-14-6-10-20-8-3-4-13-25(20)26/h1-18H
InChIKeyNRUYPJUBQGMVTQ-UHFFFAOYSA-N
MW443.94 g/mol
LogP7.83
Rot. Bonds3

About 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine

2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 171469861) has the molecular formula C29H18ClN3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID171469861
Molecular FormulaC29H18ClN3
Molecular Weight443.94 g/mol
Exact Mass443.12
IUPAC Name2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C29H18ClN3/c30-24-12-5-11-22(18-24)27-31-28(23-16-15-19-7-1-2-9-21(19)17-23)33-29(32-27)26-14-6-10-20-8-3-4-13-25(20)26/h1-18H
InChIKeyNRUYPJUBQGMVTQ-UHFFFAOYSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.94
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-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

Related Compounds

2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 171469861) is 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is Clc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is NRUYPJUBQGMVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN3/c30-24-12-5-11-22(18-24)27-31-28(23-16-15-19-7-1-2-9-21(19)17-23)33-29(32-27)26-14-6-10-20-8-3-4-13-25(20)26/h1-18H.
What are the key properties of 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 443.94 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 171469861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).