2,4,6-tris(4-methylphenyl)-1H-triazine

C24H23N3 — CID 139920479

IUPAC2,4,6-tris(4-methylphenyl)-1H-triazine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)=NN(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C24H23N3/c1-17-4-10-20(11-5-17)23-16-24(21-12-6-18(2)7-13-21)26-27(25-23)22-14-8-19(3)9-15-22/h4-16,25H,1-3H3
InChIKeyFZDWCXDBBBGFHN-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.38
Rot. Bonds3

About 2,4,6-tris(4-methylphenyl)-1H-triazine

2,4,6-tris(4-methylphenyl)-1H-triazine (PubChem CID 139920479) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4,6-tris(4-methylphenyl)-1H-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-methylphenyl)-1H-triazine
PubChem CID139920479
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name2,4,6-tris(4-methylphenyl)-1H-triazine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)=NN(c3ccc(C)cc3)N2)cc1
InChIInChI=1S/C24H23N3/c1-17-4-10-20(11-5-17)23-16-24(21-12-6-18(2)7-13-21)26-27(25-23)22-14-8-19(3)9-15-22/h4-16,25H,1-3H3
InChIKeyFZDWCXDBBBGFHN-UHFFFAOYSA-N
XLogP5.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methylphenyl)-1H-triazete
CID 90215973
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 171375722
2,3-bis(4-methylphenyl)oxadiaziridine
CID 174939359
2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine
CID 58717201
(2Z)-2-cyano-2-[6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-ylidene]acetamide
CID 5407759
3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 13196080
3-methyl-4-(4-methylphenyl)-1H-tetrazol-3-ium-5-thione
CID 58798319
methane;pentakis(1,4-xylene)
CID 160760083
3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
CID 609974
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
5-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 20632659

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methylphenyl)-1H-triazine?
The IUPAC name of 2,4,6-tris(4-methylphenyl)-1H-triazine (CID 139920479) is 2,4,6-tris(4-methylphenyl)-1H-triazine.
What is the SMILES notation for 2,4,6-tris(4-methylphenyl)-1H-triazine?
The canonical SMILES for 2,4,6-tris(4-methylphenyl)-1H-triazine is Cc1ccc(C2=CC(c3ccc(C)cc3)=NN(c3ccc(C)cc3)N2)cc1.
What is the InChIKey of 2,4,6-tris(4-methylphenyl)-1H-triazine?
The InChIKey is FZDWCXDBBBGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-17-4-10-20(11-5-17)23-16-24(21-12-6-18(2)7-13-21)26-27(25-23)22-14-8-19(3)9-15-22/h4-16,25H,1-3H3.
What are the key properties of 2,4,6-tris(4-methylphenyl)-1H-triazine?
2,4,6-tris(4-methylphenyl)-1H-triazine has a molecular weight of 353.47 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylphenyl)-1H-triazine is sourced from PubChem (CID 139920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).