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

C34H23BrN2 — CID 155757935

IUPAC4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESBrc1cccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1
InChIInChI=1S/C34H23BrN2/c35-31-13-7-12-30(22-31)26-16-14-24(15-17-26)25-18-20-28(21-19-25)33-23-32(27-8-3-1-4-9-27)36-34(37-33)29-10-5-2-6-11-29/h1-23H
InChIKeyZHTQZRYIERZUCR-UHFFFAOYSA-N
MW539.48 g/mol
LogP9.57
Rot. Bonds5

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

4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 155757935) has the molecular formula C34H23BrN2 and a molecular weight of 539.48 g/mol. Its IUPAC name is 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID155757935
Molecular FormulaC34H23BrN2
Molecular Weight539.48 g/mol
Exact Mass538.10
IUPAC Name4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESBrc1cccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1
InChIInChI=1S/C34H23BrN2/c35-31-13-7-12-30(22-31)26-16-14-24(15-17-26)25-18-20-28(21-19-25)33-23-32(27-8-3-1-4-9-27)36-34(37-33)29-10-5-2-6-11-29/h1-23H
InChIKeyZHTQZRYIERZUCR-UHFFFAOYSA-N
XLogP9.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 59.57
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
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
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
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine (CID 155757935) is 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine is Brc1cccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)c1.
What is the InChIKey of 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is ZHTQZRYIERZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2/c35-31-13-7-12-30(22-31)26-16-14-24(15-17-26)25-18-20-28(21-19-25)33-23-32(27-8-3-1-4-9-27)36-34(37-33)29-10-5-2-6-11-29/h1-23H.
What are the key properties of 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 539.48 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 155757935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).