4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine

C58H40N2 — CID 175754260

IUPAC4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)cc5-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-6-16-41(17-7-1)43-26-32-49(33-27-43)56-40-57(50-34-28-44(29-35-50)42-18-8-2-9-19-42)60-58(59-56)51-36-30-48(31-37-51)55-39-53(46-22-12-4-13-23-46)52(45-20-10-3-11-21-45)38-54(55)47-24-14-5-15-25-47/h1-40H
InChIKeyRQKMCBNRUCKODF-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.48
Rot. Bonds9

About 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine

4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine (PubChem CID 175754260) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
PubChem CID175754260
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)cc5-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-6-16-41(17-7-1)43-26-32-49(33-27-43)56-40-57(50-34-28-44(29-35-50)42-18-8-2-9-19-42)60-58(59-56)51-36-30-48(31-37-51)55-39-53(46-22-12-4-13-23-46)52(45-20-10-3-11-21-45)38-54(55)47-24-14-5-15-25-47/h1-40H
InChIKeyRQKMCBNRUCKODF-UHFFFAOYSA-N
XLogP15.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[3-[4-[2-(3,4-diphenylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163549585
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[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402387
2-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402228
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
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-[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-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine (CID 175754260) is 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)cc5-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine?
The InChIKey is RQKMCBNRUCKODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-6-16-41(17-7-1)43-26-32-49(33-27-43)56-40-57(50-34-28-44(29-35-50)42-18-8-2-9-19-42)60-58(59-56)51-36-30-48(31-37-51)55-39-53(46-22-12-4-13-23-46)52(45-20-10-3-11-21-45)38-54(55)47-24-14-5-15-25-47/h1-40H.
What are the key properties of 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine?
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine has a molecular weight of 764.97 g/mol, XLogP of 15.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 175754260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).