2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine

C32H21BrN4 — CID 154704995

IUPAC2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C32H21BrN4/c33-26-18-10-17-25(19-26)30-21-29(24-15-8-3-9-16-24)36-32(37-30)31-34-27(22-11-4-1-5-12-22)20-28(35-31)23-13-6-2-7-14-23/h1-21H
InChIKeyOUWHXTJBFZIYLT-UHFFFAOYSA-N
MW541.45 g/mol
LogP8.36
Rot. Bonds5

About 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine

2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine (PubChem CID 154704995) has the molecular formula C32H21BrN4 and a molecular weight of 541.45 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
PubChem CID154704995
Molecular FormulaC32H21BrN4
Molecular Weight541.45 g/mol
Exact Mass540.09
IUPAC Name2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
SMILESBrc1cccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C32H21BrN4/c33-26-18-10-17-25(19-26)30-21-29(24-15-8-3-9-16-24)36-32(37-30)31-34-27(22-11-4-1-5-12-22)20-28(35-31)23-13-6-2-7-14-23/h1-21H
InChIKeyOUWHXTJBFZIYLT-UHFFFAOYSA-N
XLogP8.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
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
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
4-(3-bromophenyl)-2-(4-bromophenyl)-6-triphenylen-2-ylpyrimidine
CID 118259484
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine (CID 154704995) is 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine is Brc1cccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)c1.
What is the InChIKey of 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine?
The InChIKey is OUWHXTJBFZIYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN4/c33-26-18-10-17-25(19-26)30-21-29(24-15-8-3-9-16-24)36-32(37-30)31-34-27(22-11-4-1-5-12-22)20-28(35-31)23-13-6-2-7-14-23/h1-21H.
What are the key properties of 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine?
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine has a molecular weight of 541.45 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 154704995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).