3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole

C24H23N3 — CID 58609348

IUPAC3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
SMILESCc1cc(C)cc(-c2nnc(-c3cc(C)cc(C)c3)n2-c2ccccc2)c1
InChIInChI=1S/C24H23N3/c1-16-10-17(2)13-20(12-16)23-25-26-24(21-14-18(3)11-19(4)15-21)27(23)22-8-6-5-7-9-22/h5-15H,1-4H3
InChIKeyHOBVCWTUALNEGV-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.83
Rot. Bonds3

About 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole

3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole (PubChem CID 58609348) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
PubChem CID58609348
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
SMILESCc1cc(C)cc(-c2nnc(-c3cc(C)cc(C)c3)n2-c2ccccc2)c1
InChIInChI=1S/C24H23N3/c1-16-10-17(2)13-20(12-16)23-25-26-24(21-14-18(3)11-19(4)15-21)27(23)22-8-6-5-7-9-22/h5-15H,1-4H3
InChIKeyHOBVCWTUALNEGV-UHFFFAOYSA-N
XLogP5.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole;2-(3,5-dimethylphenyl)-5-(4-methylphenyl)thiophene
CID 157335252
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
3,5-bis(3-iodophenyl)-4-phenyl-1,2,4-triazole
CID 153407189
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
CID 170283637
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
3,4-diphenyl-5-[4-(2,6,8-trimethyldibenzothiophen-4-yl)phenyl]-1,2,4-triazole
CID 58518654
iridium;3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole
CID 59512750
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole (CID 58609348) is 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole is Cc1cc(C)cc(-c2nnc(-c3cc(C)cc(C)c3)n2-c2ccccc2)c1.
What is the InChIKey of 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is HOBVCWTUALNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-10-17(2)13-20(12-16)23-25-26-24(21-14-18(3)11-19(4)15-21)27(23)22-8-6-5-7-9-22/h5-15H,1-4H3.
What are the key properties of 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole?
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 353.47 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 58609348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).