2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine

C24H23N3 — CID 59993837

IUPAC2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESCc1ccccc1C1=NC(c2ccccc2C)N=C(c2ccccc2C)N1
InChIInChI=1S/C24H23N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15,22H,1-3H3,(H,25,26,27)
InChIKeyGIYCRUDQHNNICZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.11
Rot. Bonds3

About 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine

2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 59993837) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID59993837
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESCc1ccccc1C1=NC(c2ccccc2C)N=C(c2ccccc2C)N1
InChIInChI=1S/C24H23N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15,22H,1-3H3,(H,25,26,27)
InChIKeyGIYCRUDQHNNICZ-UHFFFAOYSA-N
XLogP5.11
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine (CID 59993837) is 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine is Cc1ccccc1C1=NC(c2ccccc2C)N=C(c2ccccc2C)N1.
What is the InChIKey of 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is GIYCRUDQHNNICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15,22H,1-3H3,(H,25,26,27).
What are the key properties of 2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine?
2,4,6-tris(2-methylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 353.47 g/mol, XLogP of 5.11, 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(2-methylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 59993837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).