2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

C19H12ClN3 — CID 175930294

IUPAC2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESClc1ncnc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-12-21-18(23-19)15-8-5-14(6-9-15)17-10-7-13-3-1-2-4-16(13)11-17/h1-12H
InChIKeyRUIDZDBXGXJVIC-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine

2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 175930294) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID175930294
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESClc1ncnc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-12-21-18(23-19)15-8-5-14(6-9-15)17-10-7-13-3-1-2-4-16(13)11-17/h1-12H
InChIKeyRUIDZDBXGXJVIC-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

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Related Compounds

2-chloro-4-(4-methylphenyl)-1,3,5-triazine
CID 130058312
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-chloro-4-naphthalen-2-yl-6-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171731211
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
benzo[f]azulene
CID 13065869
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 175930294) is 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is Clc1ncnc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1.
What is the InChIKey of 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is RUIDZDBXGXJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-22-12-21-18(23-19)15-8-5-14(6-9-15)17-10-7-13-3-1-2-4-16(13)11-17/h1-12H.
What are the key properties of 2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-chloro-4-(4-naphthalen-2-ylphenyl)-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-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 175930294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).