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

C56H36N10 — CID 167146178

IUPAC4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)nc(-c6cccnc6)n5)cc4)nc(-c4cccnc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N10/c1-5-15-37(16-6-1)45-31-49(63-53(59-45)41-19-9-3-10-20-41)51-33-47(61-55(65-51)43-23-13-29-57-35-43)39-25-27-40(28-26-39)48-34-52(66-56(62-48)44-24-14-30-58-36-44)50-32-46(38-17-7-2-8-18-38)60-54(64-50)42-21-11-4-12-22-42/h1-36H
InChIKeyCUKVBKWURNWKCH-UHFFFAOYSA-N
MW848.97 g/mol
LogP12.31
Rot. Bonds10

About 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

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 (PubChem CID 167146178) has the molecular formula C56H36N10 and a molecular weight of 848.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
PubChem CID167146178
Molecular FormulaC56H36N10
Molecular Weight848.97 g/mol
Exact Mass848.31
IUPAC Name4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)nc(-c6cccnc6)n5)cc4)nc(-c4cccnc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H36N10/c1-5-15-37(16-6-1)45-31-49(63-53(59-45)41-19-9-3-10-20-41)51-33-47(61-55(65-51)43-23-13-29-57-35-43)39-25-27-40(28-26-39)48-34-52(66-56(62-48)44-24-14-30-58-36-44)50-32-46(38-17-7-2-8-18-38)60-54(64-50)42-21-11-4-12-22-42/h1-36H
InChIKeyCUKVBKWURNWKCH-UHFFFAOYSA-N
XLogP12.31
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.97
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
4-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121384390
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
4-[2-(4-aminophenyl)-6-pyridin-3-ylpyrimidin-4-yl]aniline
CID 630923
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130268379
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-c4ccc(-c5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)nc(-c6cccnc6)n5)cc4)nc(-c4cccnc4)n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is CUKVBKWURNWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N10/c1-5-15-37(16-6-1)45-31-49(63-53(59-45)41-19-9-3-10-20-41)51-33-47(61-55(65-51)43-23-13-29-57-35-43)39-25-27-40(28-26-39)48-34-52(66-56(62-48)44-24-14-30-58-36-44)50-32-46(38-17-7-2-8-18-38)60-54(64-50)42-21-11-4-12-22-42/h1-36H.
What are the key properties of 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?
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 has a molecular weight of 848.97 g/mol, XLogP of 12.31, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167146178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).