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

C81H51N15 — CID 23597794

IUPAC2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)n3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1
InChIInChI=1S/C81H51N15/c1-13-37-82-58(25-1)52-49-55(73(64-31-7-19-43-88-64)76(67-34-10-22-46-91-67)70(52)61-28-4-16-40-85-61)79-94-80(56-50-53(59-26-2-14-38-83-59)71(62-29-5-17-41-86-62)77(68-35-11-23-47-92-68)74(56)65-32-8-20-44-89-65)96-81(95-79)57-51-54(60-27-3-15-39-84-60)72(63-30-6-18-42-87-63)78(69-36-12-24-48-93-69)75(57)66-33-9-21-45-90-66/h1-51H
InChIKeyFMGKJVJKIJCQEN-UHFFFAOYSA-N
MW1234.40 g/mol
LogP17.62
Rot. Bonds15

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

2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 23597794) has the molecular formula C81H51N15 and a molecular weight of 1234.40 g/mol. Its IUPAC name is 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID23597794
Molecular FormulaC81H51N15
Molecular Weight1234.40 g/mol
Exact Mass1233.45
IUPAC Name2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)n3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1
InChIInChI=1S/C81H51N15/c1-13-37-82-58(25-1)52-49-55(73(64-31-7-19-43-88-64)76(67-34-10-22-46-91-67)70(52)61-28-4-16-40-85-61)79-94-80(56-50-53(59-26-2-14-38-83-59)71(62-29-5-17-41-86-62)77(68-35-11-23-47-92-68)74(56)65-32-8-20-44-89-65)96-81(95-79)57-51-54(60-27-3-15-39-84-60)72(63-30-6-18-42-87-63)78(69-36-12-24-48-93-69)75(57)66-33-9-21-45-90-66/h1-51H
InChIKeyFMGKJVJKIJCQEN-UHFFFAOYSA-N
XLogP17.62
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.40
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

CID 139150015
CID 139150015
2-[2,3,4-tripyridin-2-yl-5-(1,2,2-triphenylethenyl)phenyl]pyridine
CID 171780226
2-(3,4-dipyridin-2-ylnaphthalen-2-yl)pyrimidine
CID 138982228
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2,3,4,5-tetrapyridin-2-ylpyridine
CID 22045955
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine (CID 23597794) is 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)nc(-c4cc(-c5ccccn5)c(-c5ccccn5)c(-c5ccccn5)c4-c4ccccn4)n3)c(-c3ccccn3)c(-c3ccccn3)c2-c2ccccn2)nc1.
What is the InChIKey of 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is FMGKJVJKIJCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N15/c1-13-37-82-58(25-1)52-49-55(73(64-31-7-19-43-88-64)76(67-34-10-22-46-91-67)70(52)61-28-4-16-40-85-61)79-94-80(56-50-53(59-26-2-14-38-83-59)71(62-29-5-17-41-86-62)77(68-35-11-23-47-92-68)74(56)65-32-8-20-44-89-65)96-81(95-79)57-51-54(60-27-3-15-39-84-60)72(63-30-6-18-42-87-63)78(69-36-12-24-48-93-69)75(57)66-33-9-21-45-90-66/h1-51H.
What are the key properties of 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine?
2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 1234.40 g/mol, XLogP of 17.62, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,3,4,5-tetrapyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 23597794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).