4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine

C54H36Br2N6 — CID 157130842

IUPAC4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/2C27H18BrN3/c2*28-24-13-5-11-22(16-24)26-17-25(30-27(31-26)23-12-6-14-29-18-23)21-10-4-9-20(15-21)19-7-2-1-3-8-19/h2*1-18H
InChIKeyAJBCGKCXQZPJLV-UHFFFAOYSA-N
MW928.73 g/mol
LogP14.60
Rot. Bonds8

About 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine

4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine (PubChem CID 157130842) has the molecular formula C54H36Br2N6 and a molecular weight of 928.73 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
PubChem CID157130842
Molecular FormulaC54H36Br2N6
Molecular Weight928.73 g/mol
Exact Mass926.14
IUPAC Name4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
SMILESBrc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/2C27H18BrN3/c2*28-24-13-5-11-22(16-24)26-17-25(30-27(31-26)23-12-6-14-29-18-23)21-10-4-9-20(15-21)19-7-2-1-3-8-19/h2*1-18H
InChIKeyAJBCGKCXQZPJLV-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

Abt-702
CID 1973
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10895093
5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11261214
6-Benzyl-5-(3-bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11284297
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-pentyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11306409
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305396
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305632
2-(5-Bromo-2-fluorophenyl)-4-[(phenethyl)(4-pyridyl)amino]-pteridine
CID 44432069
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162644727

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine (CID 157130842) is 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine is Brc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1.Brc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine?
The InChIKey is AJBCGKCXQZPJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H18BrN3/c2*28-24-13-5-11-22(16-24)26-17-25(30-27(31-26)23-12-6-14-29-18-23)21-10-4-9-20(15-21)19-7-2-1-3-8-19/h2*1-18H.
What are the key properties of 4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine?
4-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-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-(3-bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 157130842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).