4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine

C28H19BrN2 — CID 58943669

IUPAC4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
SMILESBrc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C28H19BrN2/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)27-19-26(21-12-6-2-7-13-21)30-28(31-27)22-14-8-3-9-15-22/h1-19H
InChIKeyWBQMQZARORAHHV-UHFFFAOYSA-N
MW463.38 g/mol
LogP7.91
Rot. Bonds4

About 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine

4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine (PubChem CID 58943669) has the molecular formula C28H19BrN2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
PubChem CID58943669
Molecular FormulaC28H19BrN2
Molecular Weight463.38 g/mol
Exact Mass462.07
IUPAC Name4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
SMILESBrc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C28H19BrN2/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)27-19-26(21-12-6-2-7-13-21)30-28(31-27)22-14-8-3-9-15-22/h1-19H
InChIKeyWBQMQZARORAHHV-UHFFFAOYSA-N
XLogP7.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
2-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenylpyrimidine;2-(3-methyl-5-pyridin-2-ylphenyl)pyridine
CID 159330805
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine (CID 58943669) is 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine is Brc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine?
The InChIKey is WBQMQZARORAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)27-19-26(21-12-6-2-7-13-21)30-28(31-27)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine?
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine has a molecular weight of 463.38 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 58943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).