2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine

C25H16BrN3 — CID 121402385

IUPAC2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2ccccc2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H16BrN3/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-28-23(18-10-3-1-4-11-18)27-24(29-25)19-12-5-2-6-13-19/h1-16H
InChIKeyYFLYWGPCFIMYOW-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.79
Rot. Bonds3

About 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 121402385) has the molecular formula C25H16BrN3 and a molecular weight of 438.33 g/mol. Its IUPAC name is 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID121402385
Molecular FormulaC25H16BrN3
Molecular Weight438.33 g/mol
Exact Mass437.05
IUPAC Name2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1ccc2ccccc2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H16BrN3/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-28-23(18-10-3-1-4-11-18)27-24(29-25)19-12-5-2-6-13-19/h1-16H
InChIKeyYFLYWGPCFIMYOW-UHFFFAOYSA-N
XLogP6.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 121402385) is 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine is Brc1ccc2ccccc2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YFLYWGPCFIMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3/c26-21-16-15-17-9-7-8-14-20(17)22(21)25-28-23(18-10-3-1-4-11-18)27-24(29-25)19-12-5-2-6-13-19/h1-16H.
What are the key properties of 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 438.33 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromonaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 121402385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).