2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C37H24ClN3 — CID 166022200

IUPAC2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1
InChIInChI=1S/C37H24ClN3/c38-37-40-35(33-15-7-13-27(23-33)25-9-3-1-4-10-25)39-36(41-37)34-16-8-14-28(24-34)30-19-20-31-21-29(17-18-32(31)22-30)26-11-5-2-6-12-26/h1-24H
InChIKeyFOEPMDJYXCVZST-UHFFFAOYSA-N
MW546.07 g/mol
LogP10.01
Rot. Bonds5

About 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 166022200) has the molecular formula C37H24ClN3 and a molecular weight of 546.07 g/mol. Its IUPAC name is 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID166022200
Molecular FormulaC37H24ClN3
Molecular Weight546.07 g/mol
Exact Mass545.17
IUPAC Name2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1
InChIInChI=1S/C37H24ClN3/c38-37-40-35(33-15-7-13-27(23-33)25-9-3-1-4-10-25)39-36(41-37)34-16-8-14-28(24-34)30-19-20-31-21-29(17-18-32(31)22-30)26-11-5-2-6-12-26/h1-24H
InChIKeyFOEPMDJYXCVZST-UHFFFAOYSA-N
XLogP10.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-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-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 170691035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 166022200) is 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1.
What is the InChIKey of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is FOEPMDJYXCVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClN3/c38-37-40-35(33-15-7-13-27(23-33)25-9-3-1-4-10-25)39-36(41-37)34-16-8-14-28(24-34)30-19-20-31-21-29(17-18-32(31)22-30)26-11-5-2-6-12-26/h1-24H.
What are the key properties of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 546.07 g/mol, XLogP of 10.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166022200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).