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

C40H25BrN6 — CID 155708549

IUPAC5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C40H25BrN6/c41-34-23-32(35-5-1-7-37-36(35)6-3-19-44-37)22-33(24-34)40-46-38(29-12-8-26(9-13-29)28-16-20-42-21-17-28)45-39(47-40)30-14-10-27(11-15-30)31-4-2-18-43-25-31/h1-25H
InChIKeyLUGFZTDENIZXRA-UHFFFAOYSA-N
MW669.59 g/mol
LogP9.97
Rot. Bonds6

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

5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 155708549) has the molecular formula C40H25BrN6 and a molecular weight of 669.59 g/mol. Its IUPAC name is 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID155708549
Molecular FormulaC40H25BrN6
Molecular Weight669.59 g/mol
Exact Mass668.13
IUPAC Name5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C40H25BrN6/c41-34-23-32(35-5-1-7-37-36(35)6-3-19-44-37)22-33(24-34)40-46-38(29-12-8-26(9-13-29)28-16-20-42-21-17-28)45-39(47-40)30-14-10-27(11-15-30)31-4-2-18-43-25-31/h1-25H
InChIKeyLUGFZTDENIZXRA-UHFFFAOYSA-N
XLogP9.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.59
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708548
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
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
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-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
4-[4-[6-(3-bromo-5-quinolin-5-ylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]benzonitrile
CID 155708623
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-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267
2-[3,5-bis(6-phenyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyrimidin-2-ylphenyl)pyrimidine;5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]quinoline;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159224759

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 155708549) is 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is Brc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is LUGFZTDENIZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25BrN6/c41-34-23-32(35-5-1-7-37-36(35)6-3-19-44-37)22-33(24-34)40-46-38(29-12-8-26(9-13-29)28-16-20-42-21-17-28)45-39(47-40)30-14-10-27(11-15-30)31-4-2-18-43-25-31/h1-25H.
What are the key properties of 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 669.59 g/mol, XLogP of 9.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 155708549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).