5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline

C40H25BrN4 — CID 155195971

IUPAC5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C40H25BrN4/c41-33-23-31(34-10-4-12-37-35(34)11-6-20-43-37)22-32(24-33)39-25-38(28-15-13-27(14-16-28)26-7-2-1-3-8-26)44-40(45-39)30-17-18-36-29(21-30)9-5-19-42-36/h1-25H
InChIKeyWLVDYUBMOVBWMD-UHFFFAOYSA-N
MW641.57 g/mol
LogP10.67
Rot. Bonds5

About 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline

5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline (PubChem CID 155195971) has the molecular formula C40H25BrN4 and a molecular weight of 641.57 g/mol. Its IUPAC name is 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
PubChem CID155195971
Molecular FormulaC40H25BrN4
Molecular Weight641.57 g/mol
Exact Mass640.13
IUPAC Name5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C40H25BrN4/c41-33-23-31(34-10-4-12-37-35(34)11-6-20-43-37)22-32(24-33)39-25-38(28-15-13-27(14-16-28)26-7-2-1-3-8-26)44-40(45-39)30-17-18-36-29(21-30)9-5-19-42-36/h1-25H
InChIKeyWLVDYUBMOVBWMD-UHFFFAOYSA-N
XLogP10.67
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.57
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline (CID 155195971) is 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline is Brc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
The InChIKey is WLVDYUBMOVBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25BrN4/c41-33-23-31(34-10-4-12-37-35(34)11-6-20-43-37)22-32(24-33)39-25-38(28-15-13-27(14-16-28)26-7-2-1-3-8-26)44-40(45-39)30-17-18-36-29(21-30)9-5-19-42-36/h1-25H.
What are the key properties of 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline?
5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline has a molecular weight of 641.57 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[6-(4-phenylphenyl)-2-quinolin-6-ylpyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 155195971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).