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

C32H20N8 — CID 59273786

IUPAC2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)n4)nc(-c4ccc5ccccc5n4)n3)n2)nc1
InChIInChI=1S/C32H20N8/c1-2-10-22-21(9-1)17-18-29(35-22)32-39-30(27-15-7-13-25(36-27)23-11-3-5-19-33-23)38-31(40-32)28-16-8-14-26(37-28)24-12-4-6-20-34-24/h1-20H
InChIKeyLLQZMWVKAATGDJ-UHFFFAOYSA-N
MW516.57 g/mol
LogP6.33
Rot. Bonds5

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

2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline (PubChem CID 59273786) has the molecular formula C32H20N8 and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
PubChem CID59273786
Molecular FormulaC32H20N8
Molecular Weight516.57 g/mol
Exact Mass516.18
IUPAC Name2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)n4)nc(-c4ccc5ccccc5n4)n3)n2)nc1
InChIInChI=1S/C32H20N8/c1-2-10-22-21(9-1)17-18-29(35-22)32-39-30(27-15-7-13-25(36-27)23-11-3-5-19-33-23)38-31(40-32)28-16-8-14-26(37-28)24-12-4-6-20-34-24/h1-20H
InChIKeyLLQZMWVKAATGDJ-UHFFFAOYSA-N
XLogP6.33
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.57
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
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
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
CID 139150015
CID 139150015
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline (CID 59273786) is 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)n4)nc(-c4ccc5ccccc5n4)n3)n2)nc1.
What is the InChIKey of 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline?
The InChIKey is LLQZMWVKAATGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N8/c1-2-10-22-21(9-1)17-18-29(35-22)32-39-30(27-15-7-13-25(36-27)23-11-3-5-19-33-23)38-31(40-32)28-16-8-14-26(37-28)24-12-4-6-20-34-24/h1-20H.
What are the key properties of 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline?
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline has a molecular weight of 516.57 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 59273786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).