2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C56H38N4 — CID 58943264

IUPAC2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H38N4/c1-6-18-39(19-7-1)48-34-49(44-28-16-29-45(32-44)51-37-52(40-20-8-2-9-21-40)57-53(38-51)41-22-10-3-11-23-41)36-50(35-48)46-30-17-31-47(33-46)56-59-54(42-24-12-4-13-25-42)58-55(60-56)43-26-14-5-15-27-43/h1-38H
InChIKeyYRESOEBFCGFUEY-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.27
Rot. Bonds9

About 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943264) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58943264
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C56H38N4/c1-6-18-39(19-7-1)48-34-49(44-28-16-29-45(32-44)51-37-52(40-20-8-2-9-21-40)57-53(38-51)41-22-10-3-11-23-41)36-50(35-48)46-30-17-31-47(33-46)56-59-54(42-24-12-4-13-25-42)58-55(60-56)43-26-14-5-15-27-43/h1-38H
InChIKeyYRESOEBFCGFUEY-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-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-4-[3-[3-[6-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134447606
4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159967956
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58943264) is 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YRESOEBFCGFUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-6-18-39(19-7-1)48-34-49(44-28-16-29-45(32-44)51-37-52(40-20-8-2-9-21-40)57-53(38-51)41-22-10-3-11-23-41)36-50(35-48)46-30-17-31-47(33-46)56-59-54(42-24-12-4-13-25-42)58-55(60-56)43-26-14-5-15-27-43/h1-38H.
What are the key properties of 2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine 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-[3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).