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

C35H22BrN5 — CID 155708548

IUPAC5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccnc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C35H22BrN5/c36-29-20-27(30-10-4-12-32-31(30)11-6-18-38-32)19-28(21-29)35-40-33(39-34(41-35)26-9-5-17-37-22-26)25-15-13-24(14-16-25)23-7-2-1-3-8-23/h1-22H
InChIKeyWXGZLCWVPDSSRP-UHFFFAOYSA-N
MW592.50 g/mol
LogP8.91
Rot. Bonds5

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

5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 155708548) has the molecular formula C35H22BrN5 and a molecular weight of 592.50 g/mol. Its IUPAC name is 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID155708548
Molecular FormulaC35H22BrN5
Molecular Weight592.50 g/mol
Exact Mass591.11
IUPAC Name5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccnc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C35H22BrN5/c36-29-20-27(30-10-4-12-32-31(30)11-6-18-38-32)19-28(21-29)35-40-33(39-34(41-35)26-9-5-17-37-22-26)25-15-13-24(14-16-25)23-7-2-1-3-8-23/h1-22H
InChIKeyWXGZLCWVPDSSRP-UHFFFAOYSA-N
XLogP8.91
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.50
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[4-(3-bromo-5-quinolin-5-ylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 155195864
5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155195979
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
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-(4-pyridin-3-ylphenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 152888267
5-[3-bromo-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]quinoline
CID 151431859
2,6-diphenyl-4-(4-phenylphenyl)pyridine;2,6-diphenyl-4-(4-pyridin-3-ylphenyl)pyridine;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 160905421
4-[4-[6-(3-bromo-5-quinolin-5-ylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]benzonitrile
CID 155708623
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline (CID 155708548) is 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline is Brc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccnc3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is WXGZLCWVPDSSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN5/c36-29-20-27(30-10-4-12-32-31(30)11-6-18-38-32)19-28(21-29)35-40-33(39-34(41-35)26-9-5-17-37-22-26)25-15-13-24(14-16-25)23-7-2-1-3-8-23/h1-22H.
What are the key properties of 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 592.50 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 155708548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).