2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine

C56H38N4 — CID 134191347

IUPAC2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C56H38N4/c1-4-16-39(17-5-1)52-31-28-42(36-57-52)46-22-10-11-25-49(46)45-34-55(50-26-14-12-23-47(50)43-29-32-53(58-37-43)40-18-6-2-7-19-40)60-56(35-45)51-27-15-13-24-48(51)44-30-33-54(59-38-44)41-20-8-3-9-21-41/h1-38H
InChIKeyAJKPJSRHXGUVQQ-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.27
Rot. Bonds9

About 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine

2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine (PubChem CID 134191347) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine.

Molecular Properties

Compound Name2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
PubChem CID134191347
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1
InChIInChI=1S/C56H38N4/c1-4-16-39(17-5-1)52-31-28-42(36-57-52)46-22-10-11-25-49(46)45-34-55(50-26-14-12-23-47(50)43-29-32-53(58-37-43)40-18-6-2-7-19-40)60-56(35-45)51-27-15-13-24-48(51)44-30-33-54(59-38-44)41-20-8-3-9-21-41/h1-38H
InChIKeyAJKPJSRHXGUVQQ-UHFFFAOYSA-N
XLogP14.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]pyridine
CID 139298727
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
CID 161384544
CID 161384544
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
5-[2-[3,5-bis[2-[6-[3-(2-phenylethynyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2-phenylethynyl)phenyl]pyridine
CID 153429602

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine?
The IUPAC name of 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine (CID 134191347) is 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine.
What is the SMILES notation for 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine?
The canonical SMILES for 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1.
What is the InChIKey of 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine?
The InChIKey is AJKPJSRHXGUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-4-16-39(17-5-1)52-31-28-42(36-57-52)46-22-10-11-25-49(46)45-34-55(50-26-14-12-23-47(50)43-29-32-53(58-37-43)40-18-6-2-7-19-40)60-56(35-45)51-27-15-13-24-48(51)44-30-33-54(59-38-44)41-20-8-3-9-21-41/h1-38H.
What are the key properties of 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine?
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine has a molecular weight of 766.95 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 134191347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).