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

C22H19N3 — CID 12555224

IUPAC4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H19N3/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18/h2-15,22H,1H3,(H,23,24,25)
InChIKeyVJKWDCGNQCRUDT-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.49
Rot. Bonds3

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

4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 12555224) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID12555224
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C22H19N3/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18/h2-15,22H,1H3,(H,23,24,25)
InChIKeyVJKWDCGNQCRUDT-UHFFFAOYSA-N
XLogP4.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 12555224) is 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is Cc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is VJKWDCGNQCRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18/h2-15,22H,1H3,(H,23,24,25).
What are the key properties of 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 325.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 12555224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).