6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline

C34H21BrN6 — CID 155195938

IUPAC6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C34H21BrN6/c35-30-19-28(27-4-1-13-37-21-27)18-29(20-30)34-40-32(24-7-5-22(6-8-24)23-11-15-36-16-12-23)39-33(41-34)26-9-10-31-25(17-26)3-2-14-38-31/h1-21H
InChIKeyGVIDPLGIWQAHLU-UHFFFAOYSA-N
MW593.49 g/mol
LogP8.31
Rot. Bonds5

About 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline

6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 155195938) has the molecular formula C34H21BrN6 and a molecular weight of 593.49 g/mol. Its IUPAC name is 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
PubChem CID155195938
Molecular FormulaC34H21BrN6
Molecular Weight593.49 g/mol
Exact Mass592.10
IUPAC Name6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
SMILESBrc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C34H21BrN6/c35-30-19-28(27-4-1-13-37-21-27)18-29(20-30)34-40-32(24-7-5-22(6-8-24)23-11-15-36-16-12-23)39-33(41-34)26-9-10-31-25(17-26)3-2-14-38-31/h1-21H
InChIKeyGVIDPLGIWQAHLU-UHFFFAOYSA-N
XLogP8.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.49
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
CID 155196021
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-(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
5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708549
5-[3-bromo-5-[4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155195932
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine;6-[4-[3,5-di(anthracen-2-yl)phenyl]-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 158091241
5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155195979
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
CID 153466232

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline (CID 155195938) is 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline is Brc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1.
What is the InChIKey of 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
The InChIKey is GVIDPLGIWQAHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21BrN6/c35-30-19-28(27-4-1-13-37-21-27)18-29(20-30)34-40-32(24-7-5-22(6-8-24)23-11-15-36-16-12-23)39-33(41-34)26-9-10-31-25(17-26)3-2-14-38-31/h1-21H.
What are the key properties of 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline?
6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline has a molecular weight of 593.49 g/mol, XLogP of 8.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 155195938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).