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

C19H12ClN3 — CID 118688280

IUPAC2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKeyBCJVAUGUKQWPRH-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

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

2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 118688280) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID118688280
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChIKeyBCJVAUGUKQWPRH-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-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-chloro-4-naphthalen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170691103
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 155450567
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 118688280) is 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is BCJVAUGUKQWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-22-17(14-8-2-1-3-9-14)21-18(23-19)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-naphthalen-1-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-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).