2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine

C52H34N8 — CID 58090459

IUPAC2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)n4)c3)n2)nc1
InChIInChI=1S/C52H34N8/c1-4-28-53-44(19-1)47-25-10-22-41(56-47)35-13-7-16-38(31-35)50-34-51(39-17-8-14-36(32-39)42-23-11-26-48(57-42)45-20-2-5-29-54-45)60-52(59-50)40-18-9-15-37(33-40)43-24-12-27-49(58-43)46-21-3-6-30-55-46/h1-34H
InChIKeyVVEXHOVPRPEWJZ-UHFFFAOYSA-N
MW770.90 g/mol
LogP11.85
Rot. Bonds9

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

2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine (PubChem CID 58090459) has the molecular formula C52H34N8 and a molecular weight of 770.90 g/mol. Its IUPAC name is 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
PubChem CID58090459
Molecular FormulaC52H34N8
Molecular Weight770.90 g/mol
Exact Mass770.29
IUPAC Name2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)nc(-c5cccc(-c6cccc(-c7ccccn7)n6)c5)n4)c3)n2)nc1
InChIInChI=1S/C52H34N8/c1-4-28-53-44(19-1)47-25-10-22-41(56-47)35-13-7-16-38(31-35)50-34-51(39-17-8-14-36(32-39)42-23-11-26-48(57-42)45-20-2-5-29-54-45)60-52(59-50)40-18-9-15-37(33-40)43-24-12-27-49(58-43)46-21-3-6-30-55-46/h1-34H
InChIKeyVVEXHOVPRPEWJZ-UHFFFAOYSA-N
XLogP11.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.90
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 163565213
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine?
The IUPAC name of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine (CID 58090459) is 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine?
The canonical SMILES for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cccc(-c3cccc(-c4cc(-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]pyrimidine?
The InChIKey is VVEXHOVPRPEWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N8/c1-4-28-53-44(19-1)47-25-10-22-41(56-47)35-13-7-16-38(31-35)50-34-51(39-17-8-14-36(32-39)42-23-11-26-48(57-42)45-20-2-5-29-54-45)60-52(59-50)40-18-9-15-37(33-40)43-24-12-27-49(58-43)46-21-3-6-30-55-46/h1-34H.
What are the key properties of 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine?
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine has a molecular weight of 770.90 g/mol, XLogP of 11.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 58090459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).