2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C30H19BrN6 — CID 155708578

IUPAC2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2ccncc2)cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1
InChIInChI=1S/C30H19BrN6/c31-27-18-25(22-7-13-33-14-8-22)17-26(19-27)30-36-28(35-29(37-30)24-9-15-34-16-10-24)23-3-1-20(2-4-23)21-5-11-32-12-6-21/h1-19H
InChIKeyQEHCFUIQVNFKGK-UHFFFAOYSA-N
MW543.43 g/mol
LogP7.15
Rot. Bonds5

About 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 155708578) has the molecular formula C30H19BrN6 and a molecular weight of 543.43 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID155708578
Molecular FormulaC30H19BrN6
Molecular Weight543.43 g/mol
Exact Mass542.09
IUPAC Name2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2ccncc2)cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1
InChIInChI=1S/C30H19BrN6/c31-27-18-25(22-7-13-33-14-8-22)17-26(19-27)30-36-28(35-29(37-30)24-9-15-34-16-10-24)23-3-1-20(2-4-23)21-5-11-32-12-6-21/h1-19H
InChIKeyQEHCFUIQVNFKGK-UHFFFAOYSA-N
XLogP7.15
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.43
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 155195938
9-[3-bromo-5-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708573
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 118196223
9-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708556

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 155708578) is 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is Brc1cc(-c2ccncc2)cc(-c2nc(-c3ccncc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is QEHCFUIQVNFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN6/c31-27-18-25(22-7-13-33-14-8-22)17-26(19-27)30-36-28(35-29(37-30)24-9-15-34-16-10-24)23-3-1-20(2-4-23)21-5-11-32-12-6-21/h1-19H.
What are the key properties of 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 543.43 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155708578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).