5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole

C24H23N3 — CID 150662975

IUPAC5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2ncn[nH]2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3/c1-24(2,3)22-14-13-20(23-25-16-26-27-23)15-21(22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,25,26,27)
InChIKeyJEGPTTFSZMUZCQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.10
Rot. Bonds3

About 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole

5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole (PubChem CID 150662975) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
PubChem CID150662975
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2ncn[nH]2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3/c1-24(2,3)22-14-13-20(23-25-16-26-27-23)15-21(22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,25,26,27)
InChIKeyJEGPTTFSZMUZCQ-UHFFFAOYSA-N
XLogP6.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
5-(3-tert-butylphenyl)-1H-1,2,4-triazole
CID 58412583
5-(2-phenylphenyl)-1H-1,2,4-triazole
CID 141114745
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1-[2-methyl-5-(1H-1,2,4-triazol-5-yl)phenyl]-4-phenylpyrazol-5-amine
CID 173185148
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
1,4-ditert-butyl-2-(2-phenylphenyl)benzene
CID 174563257
5-[4-(3-fluorophenyl)phenyl]-1H-1,2,4-triazole
CID 175871608
5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
CID 58503677
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881
5-(3-iodo-4-methylphenyl)-1H-1,2,4-triazole
CID 58170519

Frequently Asked Questions

What is the IUPAC name of 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole (CID 150662975) is 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole is CC(C)(C)c1ccc(-c2ncn[nH]2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is JEGPTTFSZMUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-24(2,3)22-14-13-20(23-25-16-26-27-23)15-21(22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,25,26,27).
What are the key properties of 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole?
5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 353.47 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-tert-butyl-3-(4-phenylphenyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 150662975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).