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

C28H18ClN3 — CID 142605522

IUPAC2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2cc(-c3ccc(-c4nc5ccc(-c6ccccc6)cn5n4)cc3)ccc2c1
InChIInChI=1S/C28H18ClN3/c29-26-14-12-23-16-22(10-11-24(23)17-26)20-6-8-21(9-7-20)28-30-27-15-13-25(18-32(27)31-28)19-4-2-1-3-5-19/h1-18H
InChIKeyADZWLMVLFOCOLI-UHFFFAOYSA-N
MW431.93 g/mol
LogP7.54
Rot. Bonds3

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

2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 142605522) has the molecular formula C28H18ClN3 and a molecular weight of 431.93 g/mol. Its IUPAC name is 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID142605522
Molecular FormulaC28H18ClN3
Molecular Weight431.93 g/mol
Exact Mass431.12
IUPAC Name2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2cc(-c3ccc(-c4nc5ccc(-c6ccccc6)cn5n4)cc3)ccc2c1
InChIInChI=1S/C28H18ClN3/c29-26-14-12-23-16-22(10-11-24(23)17-26)20-6-8-21(9-7-20)28-30-27-15-13-25(18-32(27)31-28)19-4-2-1-3-5-19/h1-18H
InChIKeyADZWLMVLFOCOLI-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-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 163798613
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
2-(6-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 129263325
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 142605509
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130734
3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
CID 129285653
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
6-chloro-2-(4-phenylphenyl)imidazo[1,2-b]pyridazine
CID 15032578
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-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 142605522) is 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccc2cc(-c3ccc(-c4nc5ccc(-c6ccccc6)cn5n4)cc3)ccc2c1.
What is the InChIKey of 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ADZWLMVLFOCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN3/c29-26-14-12-23-16-22(10-11-24(23)17-26)20-6-8-21(9-7-20)28-30-27-15-13-25(18-32(27)31-28)19-4-2-1-3-5-19/h1-18H.
What are the key properties of 2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[4-(6-chloronaphthalen-2-yl)phenyl]-6-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-[4-(6-chloronaphthalen-2-yl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 142605522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).