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

C54H36N6 — CID 171832621

IUPAC2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cnccc4-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C54H36N6/c1-5-17-37(18-6-1)38-29-31-39(32-30-38)49-35-50(57-51(56-49)40-19-7-2-8-20-40)48-36-55-34-33-46(48)44-26-14-13-25-43(44)45-27-15-16-28-47(45)54-59-52(41-21-9-3-10-22-41)58-53(60-54)42-23-11-4-12-24-42/h1-36H
InChIKeyPTSICZKOBXJSLT-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.06
Rot. Bonds9

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

2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 171832621) has the molecular formula C54H36N6 and a molecular weight of 768.92 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
PubChem CID171832621
Molecular FormulaC54H36N6
Molecular Weight768.92 g/mol
Exact Mass768.30
IUPAC Name2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cnccc4-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C54H36N6/c1-5-17-37(18-6-1)38-29-31-39(32-30-38)49-35-50(57-51(56-49)40-19-7-2-8-20-40)48-36-55-34-33-46(48)44-26-14-13-25-43(44)45-27-15-16-28-47(45)54-59-52(41-21-9-3-10-22-41)58-53(60-54)42-23-11-4-12-24-42/h1-36H
InChIKeyPTSICZKOBXJSLT-UHFFFAOYSA-N
XLogP13.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 158423872
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 165168395
4,6-diphenyl-2-(2-triphenylen-2-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[3-pyridin-3-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine
CID 159685802
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine (CID 171832621) is 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cnccc4-c4ccccc4-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is PTSICZKOBXJSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6/c1-5-17-37(18-6-1)38-29-31-39(32-30-38)49-35-50(57-51(56-49)40-19-7-2-8-20-40)48-36-55-34-33-46(48)44-26-14-13-25-43(44)45-27-15-16-28-47(45)54-59-52(41-21-9-3-10-22-41)58-53(60-54)42-23-11-4-12-24-42/h1-36H.
What are the key properties of 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 768.92 g/mol, XLogP of 13.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 171832621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).