3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C34H23BrN2 — CID 67521700

IUPAC3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3cccnc3)c2)c1
InChIInChI=1S/C34H23BrN2/c35-30-11-5-8-24(21-30)27-18-28(33-14-3-1-12-31(33)25-9-6-16-36-22-25)20-29(19-27)34-15-4-2-13-32(34)26-10-7-17-37-23-26/h1-23H
InChIKeyCDLIKEJTGPOITD-UHFFFAOYSA-N
MW539.48 g/mol
LogP9.57
Rot. Bonds5

About 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 67521700) has the molecular formula C34H23BrN2 and a molecular weight of 539.48 g/mol. Its IUPAC name is 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID67521700
Molecular FormulaC34H23BrN2
Molecular Weight539.48 g/mol
Exact Mass538.10
IUPAC Name3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3cccnc3)c2)c1
InChIInChI=1S/C34H23BrN2/c35-30-11-5-8-24(21-30)27-18-28(33-14-3-1-12-31(33)25-9-6-16-36-22-25)20-29(19-27)34-15-4-2-13-32(34)26-10-7-17-37-23-26/h1-23H
InChIKeyCDLIKEJTGPOITD-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 67521700) is 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is Brc1cccc(-c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3cccnc3)c2)c1.
What is the InChIKey of 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is CDLIKEJTGPOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2/c35-30-11-5-8-24(21-30)27-18-28(33-14-3-1-12-31(33)25-9-6-16-36-22-25)20-29(19-27)34-15-4-2-13-32(34)26-10-7-17-37-23-26/h1-23H.
What are the key properties of 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine 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 3-[2-[3-(3-bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 67521700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).