2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

C51H33N9 — CID 58090473

IUPAC2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)n4)c3)n2)nc1
InChIInChI=1S/C51H33N9/c1-4-28-52-43(19-1)46-25-10-22-40(55-46)34-13-7-16-37(31-34)49-58-50(38-17-8-14-35(32-38)41-23-11-26-47(56-41)44-20-2-5-29-53-44)60-51(59-49)39-18-9-15-36(33-39)42-24-12-27-48(57-42)45-21-3-6-30-54-45/h1-33H
InChIKeyVVLPRSPAKUEOBF-UHFFFAOYSA-N
MW771.89 g/mol
LogP11.24
Rot. Bonds9

About 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine

2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 58090473) has the molecular formula C51H33N9 and a molecular weight of 771.89 g/mol. Its IUPAC name is 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID58090473
Molecular FormulaC51H33N9
Molecular Weight771.89 g/mol
Exact Mass771.29
IUPAC Name2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)n4)c3)n2)nc1
InChIInChI=1S/C51H33N9/c1-4-28-52-43(19-1)46-25-10-22-40(55-46)34-13-7-16-37(31-34)49-58-50(38-17-8-14-35(32-38)41-23-11-26-47(56-41)44-20-2-5-29-53-44)60-51(59-49)39-18-9-15-36(33-39)42-24-12-27-48(57-42)45-21-3-6-30-54-45/h1-33H
InChIKeyVVLPRSPAKUEOBF-UHFFFAOYSA-N
XLogP11.24
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.89
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine (CID 58090473) is 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)n4)c3)n2)nc1.
What is the InChIKey of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is VVLPRSPAKUEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N9/c1-4-28-52-43(19-1)46-25-10-22-40(55-46)34-13-7-16-37(31-34)49-58-50(38-17-8-14-35(32-38)41-23-11-26-47(56-41)44-20-2-5-29-53-44)60-51(59-49)39-18-9-15-36(33-39)42-24-12-27-48(57-42)45-21-3-6-30-54-45/h1-33H.
What are the key properties of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine?
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 771.89 g/mol, XLogP of 11.24, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 58090473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).