2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

C29H18BrN7 — CID 101456405

IUPAC2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C29H18BrN7/c30-20-15-13-19(14-16-20)27-35-28(25-11-5-9-23(33-25)21-7-1-3-17-31-21)37-29(36-27)26-12-6-10-24(34-26)22-8-2-4-18-32-22/h1-18H
InChIKeyLPYPKXNYPMLJOA-UHFFFAOYSA-N
MW544.42 g/mol
LogP6.55
Rot. Bonds5

About 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 101456405) has the molecular formula C29H18BrN7 and a molecular weight of 544.42 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID101456405
Molecular FormulaC29H18BrN7
Molecular Weight544.42 g/mol
Exact Mass543.08
IUPAC Name2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C29H18BrN7/c30-20-15-13-19(14-16-20)27-35-28(25-11-5-9-23(33-25)21-7-1-3-17-31-21)37-29(36-27)26-12-6-10-24(34-26)22-8-2-4-18-32-22/h1-18H
InChIKeyLPYPKXNYPMLJOA-UHFFFAOYSA-N
XLogP6.55
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.42
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273746
4-bromopyridine;2,6-dipyridin-2-ylpyridine
CID 70125485
2-(3-bromophenyl)-4-(4-bromophenyl)-6-pyridin-2-ylpyrimidine
CID 151888431
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
2-(4-bromo-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 10733853
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (CID 101456405) is 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is Brc1ccc(-c2nc(-c3cccc(-c4ccccn4)n3)nc(-c3cccc(-c4ccccn4)n3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is LPYPKXNYPMLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN7/c30-20-15-13-19(14-16-20)27-35-28(25-11-5-9-23(33-25)21-7-1-3-17-31-21)37-29(36-27)26-12-6-10-24(34-26)22-8-2-4-18-32-22/h1-18H.
What are the key properties of 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 544.42 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 101456405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).