4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine

C54H36Br2N6 — CID 158306088

IUPAC4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1.Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/2C27H18BrN3/c2*28-24-12-10-22(11-13-24)26-18-25(30-27(31-26)23-14-16-29-17-15-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h2*1-18H
InChIKeyGNCDZDSSHZPLKU-UHFFFAOYSA-N
MW928.73 g/mol
LogP14.60
Rot. Bonds8

About 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine

4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 158306088) has the molecular formula C54H36Br2N6 and a molecular weight of 928.73 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID158306088
Molecular FormulaC54H36Br2N6
Molecular Weight928.73 g/mol
Exact Mass926.14
IUPAC Name4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1.Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/2C27H18BrN3/c2*28-24-12-10-22(11-13-24)26-18-25(30-27(31-26)23-14-16-29-17-15-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h2*1-18H
InChIKeyGNCDZDSSHZPLKU-UHFFFAOYSA-N
XLogP14.60
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.73
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine (CID 158306088) is 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine is Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1.Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is GNCDZDSSHZPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H18BrN3/c2*28-24-12-10-22(11-13-24)26-18-25(30-27(31-26)23-14-16-29-17-15-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h2*1-18H.
What are the key properties of 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 928.73 g/mol, XLogP of 14.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 158306088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).