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

C37H24BrN5 — CID 155708586

IUPAC2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1
InChIInChI=1S/C37H24BrN5/c38-34-22-32(31-7-4-18-40-24-31)21-33(23-34)37-42-35(29-12-8-26(9-13-29)25-5-2-1-3-6-25)41-36(43-37)30-14-10-27(11-15-30)28-16-19-39-20-17-28/h1-24H
InChIKeyLNXVOSHVKUXZLK-UHFFFAOYSA-N
MW618.54 g/mol
LogP9.43
Rot. Bonds6

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

2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 155708586) has the molecular formula C37H24BrN5 and a molecular weight of 618.54 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID155708586
Molecular FormulaC37H24BrN5
Molecular Weight618.54 g/mol
Exact Mass617.12
IUPAC Name2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1
InChIInChI=1S/C37H24BrN5/c38-34-22-32(31-7-4-18-40-24-31)21-33(23-34)37-42-35(29-12-8-26(9-13-29)25-5-2-1-3-6-25)41-36(43-37)30-14-10-27(11-15-30)28-16-19-39-20-17-28/h1-24H
InChIKeyLNXVOSHVKUXZLK-UHFFFAOYSA-N
XLogP9.43
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.54
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-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-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 155195938
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
9-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708582
2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 150429828

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 155708586) is 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is Brc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)c1.
What is the InChIKey of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is LNXVOSHVKUXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24BrN5/c38-34-22-32(31-7-4-18-40-24-31)21-33(23-34)37-42-35(29-12-8-26(9-13-29)25-5-2-1-3-6-25)41-36(43-37)30-14-10-27(11-15-30)28-16-19-39-20-17-28/h1-24H.
What are the key properties of 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 618.54 g/mol, XLogP of 9.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155708586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).