4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole

C24H17N3 — CID 12778947

IUPAC4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyDXZRAGOWMLSWEJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.75
Rot. Bonds3

About 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole

4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole (PubChem CID 12778947) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
PubChem CID12778947
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H
InChIKeyDXZRAGOWMLSWEJ-UHFFFAOYSA-N
XLogP5.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
N-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59501492
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
CID 618453
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
4-[4-(4,5-diphenylpyren-2-yl)phenyl]-3,5-dinaphthalen-2-yl-1,2,4-triazole
CID 142701553
4-[2-[2-[4-[5-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 59501483
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
CID 118898296
2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
3-[4-[10-[3-(10-methyl-9-naphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 143535694
9-naphthalen-2-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087222
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole (CID 12778947) is 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is DXZRAGOWMLSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3/c1-3-10-19(11-4-1)23-25-26-24(20-12-5-2-6-13-20)27(23)22-16-15-18-9-7-8-14-21(18)17-22/h1-17H.
What are the key properties of 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole?
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 347.42 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 12778947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).