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

C33H22BrN3 — CID 153382205

IUPAC4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)c2)c1
InChIInChI=1S/C33H22BrN3/c34-31-9-3-8-29(20-31)27-6-1-4-25(18-27)26-5-2-7-28(19-26)30-21-32(23-10-14-35-15-11-23)37-33(22-30)24-12-16-36-17-13-24/h1-22H
InChIKeyUWBNWOCPUYXXKL-UHFFFAOYSA-N
MW540.46 g/mol
LogP8.97
Rot. Bonds5

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

4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine (PubChem CID 153382205) has the molecular formula C33H22BrN3 and a molecular weight of 540.46 g/mol. Its IUPAC name is 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine
PubChem CID153382205
Molecular FormulaC33H22BrN3
Molecular Weight540.46 g/mol
Exact Mass539.10
IUPAC Name4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)c2)c1
InChIInChI=1S/C33H22BrN3/c34-31-9-3-8-29(20-31)27-6-1-4-25(18-27)26-5-2-7-28(19-26)30-21-32(23-10-14-35-15-11-23)37-33(22-30)24-12-16-36-17-13-24/h1-22H
InChIKeyUWBNWOCPUYXXKL-UHFFFAOYSA-N
XLogP8.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine (CID 153382205) is 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine is Brc1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)c2)c1.
What is the InChIKey of 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine?
The InChIKey is UWBNWOCPUYXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22BrN3/c34-31-9-3-8-29(20-31)27-6-1-4-25(18-27)26-5-2-7-28(19-26)30-21-32(23-10-14-35-15-11-23)37-33(22-30)24-12-16-36-17-13-24/h1-22H.
What are the key properties of 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine?
4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine has a molecular weight of 540.46 g/mol, XLogP of 8.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-bromophenyl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 153382205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).