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

C36H24N6 — CID 153200165

IUPAC2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1
InChIInChI=1S/C36H24N6/c1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33/h1-24H
InChIKeyWJTIPYXEMAFYAN-UHFFFAOYSA-N
MW540.63 g/mol
LogP8.06
Rot. Bonds6

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

2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 153200165) has the molecular formula C36H24N6 and a molecular weight of 540.63 g/mol. Its IUPAC name is 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID153200165
Molecular FormulaC36H24N6
Molecular Weight540.63 g/mol
Exact Mass540.21
IUPAC Name2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1
InChIInChI=1S/C36H24N6/c1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33/h1-24H
InChIKeyWJTIPYXEMAFYAN-UHFFFAOYSA-N
XLogP8.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
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-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 153287700

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 153200165) is 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)c2)c1.
What is the InChIKey of 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is WJTIPYXEMAFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6/c1-6-26(25-14-18-37-19-15-25)20-29(9-1)34-40-35(30-10-2-7-27(21-30)32-12-4-16-38-23-32)42-36(41-34)31-11-3-8-28(22-31)33-13-5-17-39-24-33/h1-24H.
What are the key properties of 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 540.63 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153200165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).