2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine

C28H18ClN3 — CID 142605509

IUPAC2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2cc(-c3cccc(-c4nc5c(-c6ccccc6)cccn5n4)c3)ccc2c1
InChIInChI=1S/C28H18ClN3/c29-25-14-13-22-16-21(11-12-23(22)18-25)20-8-4-9-24(17-20)27-30-28-26(10-5-15-32(28)31-27)19-6-2-1-3-7-19/h1-18H
InChIKeyDHJWFXQMBFRGGX-UHFFFAOYSA-N
MW431.93 g/mol
LogP7.54
Rot. Bonds3

About 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine

2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 142605509) has the molecular formula C28H18ClN3 and a molecular weight of 431.93 g/mol. Its IUPAC name is 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID142605509
Molecular FormulaC28H18ClN3
Molecular Weight431.93 g/mol
Exact Mass431.12
IUPAC Name2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2cc(-c3cccc(-c4nc5c(-c6ccccc6)cccn5n4)c3)ccc2c1
InChIInChI=1S/C28H18ClN3/c29-25-14-13-22-16-21(11-12-23(22)18-25)20-8-4-9-24(17-20)27-30-28-26(10-5-15-32(28)31-27)19-6-2-1-3-7-19/h1-18H
InChIKeyDHJWFXQMBFRGGX-UHFFFAOYSA-N
XLogP7.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.93
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 142605522
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-bromo-8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 67343447
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2,4-diphenyl-6-[3-(6-phenylnaphthalen-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 170691060
1-(6-chloronaphthalen-2-yl)-4-phenylnaphthalene
CID 164745827
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-naphthalen-2-yl-4-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164991362
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-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 142605509) is 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccc2cc(-c3cccc(-c4nc5c(-c6ccccc6)cccn5n4)c3)ccc2c1.
What is the InChIKey of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DHJWFXQMBFRGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN3/c29-25-14-13-22-16-21(11-12-23(22)18-25)20-8-4-9-24(17-20)27-30-28-26(10-5-15-32(28)31-27)19-6-2-1-3-7-19/h1-18H.
What are the key properties of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 431.93 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 142605509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).