2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine

C26H25N3 — CID 58250693

IUPAC2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C26H25N3/c1-16-6-10-21(11-7-16)24-27-25(22-12-8-17(2)9-13-22)29-26(28-24)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3
InChIKeyODAGHWYIEDJCKM-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.41
Rot. Bonds3

About 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine

2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine (PubChem CID 58250693) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
PubChem CID58250693
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(C)cc(C)cc3C)n2)cc1
InChIInChI=1S/C26H25N3/c1-16-6-10-21(11-7-16)24-27-25(22-12-8-17(2)9-13-22)29-26(28-24)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3
InChIKeyODAGHWYIEDJCKM-UHFFFAOYSA-N
XLogP6.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine (CID 58250693) is 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3c(C)cc(C)cc3C)n2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
The InChIKey is ODAGHWYIEDJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-16-6-10-21(11-7-16)24-27-25(22-12-8-17(2)9-13-22)29-26(28-24)23-19(4)14-18(3)15-20(23)5/h6-15H,1-5H3.
What are the key properties of 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine?
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine has a molecular weight of 379.51 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58250693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).