4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine

C34H23BrN2 — CID 166009976

IUPAC4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C34H23BrN2/c35-31-19-17-26(18-20-31)32-23-33(29-15-7-13-27(21-29)24-9-3-1-4-10-24)37-34(36-32)30-16-8-14-28(22-30)25-11-5-2-6-12-25/h1-23H
InChIKeyCTFGUQGQAUZPTH-UHFFFAOYSA-N
MW539.48 g/mol
LogP9.57
Rot. Bonds5

About 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine

4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine (PubChem CID 166009976) has the molecular formula C34H23BrN2 and a molecular weight of 539.48 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
PubChem CID166009976
Molecular FormulaC34H23BrN2
Molecular Weight539.48 g/mol
Exact Mass538.10
IUPAC Name4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C34H23BrN2/c35-31-19-17-26(18-20-31)32-23-33(29-15-7-13-27(21-29)24-9-3-1-4-10-24)37-34(36-32)30-16-8-14-28(22-30)25-11-5-2-6-12-25/h1-23H
InChIKeyCTFGUQGQAUZPTH-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

2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
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-[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-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine (CID 166009976) is 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine is Brc1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine?
The InChIKey is CTFGUQGQAUZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2/c35-31-19-17-26(18-20-31)32-23-33(29-15-7-13-27(21-29)24-9-3-1-4-10-24)37-34(36-32)30-16-8-14-28(22-30)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine?
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine 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-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 166009976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).