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

C23H21N3 — CID 102229187

IUPAC2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(CCC2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H21N3/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)26-23(25-21)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25,26)
InChIKeyMHNFWIAGIAEXKD-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.44
Rot. Bonds5

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

2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 102229187) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine
PubChem CID102229187
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(CCC2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H21N3/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)26-23(25-21)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25,26)
InChIKeyMHNFWIAGIAEXKD-UHFFFAOYSA-N
XLogP4.44
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine (CID 102229187) is 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine is c1ccc(CCC2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is MHNFWIAGIAEXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-4-10-18(11-5-1)16-17-21-24-22(19-12-6-2-7-13-19)26-23(25-21)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25,26).
What are the key properties of 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine?
2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 339.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(2-phenylethyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 102229187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).