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

C21H16BrN3 — CID 122477886

IUPAC2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESBrc1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C21H16BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14,19H,(H,23,24,25)
InChIKeyPEWMQSWSNPNLHB-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.94
Rot. Bonds3

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

2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 122477886) has the molecular formula C21H16BrN3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID122477886
Molecular FormulaC21H16BrN3
Molecular Weight390.28 g/mol
Exact Mass389.05
IUPAC Name2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESBrc1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C21H16BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14,19H,(H,23,24,25)
InChIKeyPEWMQSWSNPNLHB-UHFFFAOYSA-N
XLogP4.94
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(4-bromophenyl)-1,4-dihydro-1,3,5-triazine
CID 175255244
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
4-bromo-2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol
CID 4674430
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
6-bromo-2,4-diphenyl-1,4-dihydropyrimidine
CID 123546607
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-1-methylisoquinoline
CID 130181078
2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine
CID 118642062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 122477886) is 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is Brc1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is PEWMQSWSNPNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14,19H,(H,23,24,25).
What are the key properties of 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 390.28 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 122477886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).