2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine

C51H33N9 — CID 102332851

IUPAC2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2cc(-c3ccncc3)cc(-c3nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)c2)ccn1
InChIInChI=1S/C51H33N9/c1-13-52-14-2-34(1)40-25-41(35-3-15-53-16-4-35)29-46(28-40)49-58-50(47-30-42(36-5-17-54-18-6-36)26-43(31-47)37-7-19-55-20-8-37)60-51(59-49)48-32-44(38-9-21-56-22-10-38)27-45(33-48)39-11-23-57-24-12-39/h1-33H
InChIKeyWOFMMXAFVMMCGA-UHFFFAOYSA-N
MW771.89 g/mol
LogP11.24
Rot. Bonds9

About 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine

2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 102332851) has the molecular formula C51H33N9 and a molecular weight of 771.89 g/mol. Its IUPAC name is 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID102332851
Molecular FormulaC51H33N9
Molecular Weight771.89 g/mol
Exact Mass771.29
IUPAC Name2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2cc(-c3ccncc3)cc(-c3nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)c2)ccn1
InChIInChI=1S/C51H33N9/c1-13-52-14-2-34(1)40-25-41(35-3-15-53-16-4-35)29-46(28-40)49-58-50(47-30-42(36-5-17-54-18-6-36)26-43(31-47)37-7-19-55-20-8-37)60-51(59-49)48-32-44(38-9-21-56-22-10-38)27-45(33-48)39-11-23-57-24-12-39/h1-33H
InChIKeyWOFMMXAFVMMCGA-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-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 118582461
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 176843141
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
bis(3,5-dipyridin-4-ylphenyl)methanone
CID 58240129

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine (CID 102332851) is 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine is c1cc(-c2cc(-c3ccncc3)cc(-c3nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)c2)ccn1.
What is the InChIKey of 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is WOFMMXAFVMMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N9/c1-13-52-14-2-34(1)40-25-41(35-3-15-53-16-4-35)29-46(28-40)49-58-50(47-30-42(36-5-17-54-18-6-36)26-43(31-47)37-7-19-55-20-8-37)60-51(59-49)48-32-44(38-9-21-56-22-10-38)27-45(33-48)39-11-23-57-24-12-39/h1-33H.
What are the key properties of 2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine?
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-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(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 102332851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).