4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine

C22H15BrN2 — CID 122657844

IUPAC4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H15BrN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H
InChIKeyQQNBBGZCDGTRQM-UHFFFAOYSA-N
MW387.28 g/mol
LogP6.24
Rot. Bonds3

About 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 122657844) has the molecular formula C22H15BrN2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID122657844
Molecular FormulaC22H15BrN2
Molecular Weight387.28 g/mol
Exact Mass386.04
IUPAC Name4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H15BrN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H
InChIKeyQQNBBGZCDGTRQM-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-diphenylpyrimidine;ethane
CID 142370256
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154704675
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
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
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 122657844) is 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine is Brc1cc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is QQNBBGZCDGTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2/c23-21-15-20(18-9-5-2-6-10-18)24-22(25-21)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 387.28 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 122657844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).