1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole

C28H25N3 — CID 140944524

IUPAC1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole
SMILESCc1ccccc1N1N(C)C=CN1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C28H25N3/c1-22-12-9-10-19-27(22)31-29(2)20-21-30(31)28-25(23-13-5-3-6-14-23)17-11-18-26(28)24-15-7-4-8-16-24/h3-21H,1-2H3
InChIKeyICODCSZNMKPDRM-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.89
Rot. Bonds4

About 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole

1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole (PubChem CID 140944524) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole
PubChem CID140944524
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Name1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole
SMILESCc1ccccc1N1N(C)C=CN1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C28H25N3/c1-22-12-9-10-19-27(22)31-29(2)20-21-30(31)28-25(23-13-5-3-6-14-23)17-11-18-26(28)24-15-7-4-8-16-24/h3-21H,1-2H3
InChIKeyICODCSZNMKPDRM-UHFFFAOYSA-N
XLogP6.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole?
The IUPAC name of 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole (CID 140944524) is 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole is Cc1ccccc1N1N(C)C=CN1c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole?
The InChIKey is ICODCSZNMKPDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3/c1-22-12-9-10-19-27(22)31-29(2)20-21-30(31)28-25(23-13-5-3-6-14-23)17-11-18-26(28)24-15-7-4-8-16-24/h3-21H,1-2H3.
What are the key properties of 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole?
1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole has a molecular weight of 403.53 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-methyl-2-(2-methylphenyl)triazole is sourced from PubChem (CID 140944524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).