4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole

C36H27N3 — CID 151473674

IUPAC4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)C(c3ccccc3)N2c2cccc3ccccc23)cc1
InChIInChI=1S/C36H27N3/c1-4-13-27(14-5-1)28-23-25-32(26-24-28)39-36(31-18-8-3-9-19-31)38(35(37-39)30-16-6-2-7-17-30)34-22-12-20-29-15-10-11-21-33(29)34/h1-26,36H
InChIKeyPKZQFNXJQKOKNG-UHFFFAOYSA-N
MW501.63 g/mol
LogP8.89
Rot. Bonds5

About 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole

4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole (PubChem CID 151473674) has the molecular formula C36H27N3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole
PubChem CID151473674
Molecular FormulaC36H27N3
Molecular Weight501.63 g/mol
Exact Mass501.22
IUPAC Name4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole
SMILESc1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)C(c3ccccc3)N2c2cccc3ccccc23)cc1
InChIInChI=1S/C36H27N3/c1-4-13-27(14-5-1)28-23-25-32(26-24-28)39-36(31-18-8-3-9-19-31)38(35(37-39)30-16-6-2-7-17-30)34-22-12-20-29-15-10-11-21-33(29)34/h1-26,36H
InChIKeyPKZQFNXJQKOKNG-UHFFFAOYSA-N
XLogP8.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzaldehyde, 4-(bis(phenylmethyl)amino)-2-methyl-, 2,2-diphenylhydrazone
CID 6437788
1,3,4,5-Tetraphenyl-1,2,4-triazoline
CID 4104836
4-[(E)-(Diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline
CID 9576640
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 13627424
4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine
CID 20685527
N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine
CID 54065525
4-(Diethylamino)benzaldehyde 2-(1-naphthalenyl)-2-phenylhydrazone
CID 54325133
4-[(Z)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine
CID 90693710
(10bR)-1,3-diphenyl-10bH-[1,2,4]triazolo[3,4-a]isoquinoline
CID 353552
CID 11258957
CID 11258957
2-(1-adamantyl)-4,5-diphenyl-3H-1,2,4-triazole
CID 12083795
2-(1-adamantyl)-4-naphthalen-1-yl-5-phenyl-3H-1,2,4-triazole
CID 16055374

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole?
The IUPAC name of 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole (CID 151473674) is 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole.
What is the SMILES notation for 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole?
The canonical SMILES for 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole is c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)C(c3ccccc3)N2c2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole?
The InChIKey is PKZQFNXJQKOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3/c1-4-13-27(14-5-1)28-23-25-32(26-24-28)39-36(31-18-8-3-9-19-31)38(35(37-39)30-16-6-2-7-17-30)34-22-12-20-29-15-10-11-21-33(29)34/h1-26,36H.
What are the key properties of 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole?
4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole has a molecular weight of 501.63 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-3,5-diphenyl-2-(4-phenylphenyl)-3H-1,2,4-triazole is sourced from PubChem (CID 151473674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).