4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine

C52H35BrN2 — CID 58692889

IUPAC4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine
SMILESBrc1cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C52H35BrN2/c53-48-30-44(46-32-49(40-17-9-3-10-18-40)54-51(34-46)42-25-21-38(22-26-42)36-13-5-1-6-14-36)29-45(31-48)47-33-50(41-19-11-4-12-20-41)55-52(35-47)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H
InChIKeyGIRMLTXMLCERGY-UHFFFAOYSA-N
MW767.77 g/mol
LogP14.58
Rot. Bonds8

About 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine

4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine (PubChem CID 58692889) has the molecular formula C52H35BrN2 and a molecular weight of 767.77 g/mol. Its IUPAC name is 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine
PubChem CID58692889
Molecular FormulaC52H35BrN2
Molecular Weight767.77 g/mol
Exact Mass766.20
IUPAC Name4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine
SMILESBrc1cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C52H35BrN2/c53-48-30-44(46-32-49(40-17-9-3-10-18-40)54-51(34-46)42-25-21-38(22-26-42)36-13-5-1-6-14-36)29-45(31-48)47-33-50(41-19-11-4-12-20-41)55-52(35-47)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H
InChIKeyGIRMLTXMLCERGY-UHFFFAOYSA-N
XLogP14.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.77
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine?
The IUPAC name of 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine (CID 58692889) is 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine.
What is the SMILES notation for 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine?
The canonical SMILES for 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine is Brc1cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)cc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine?
The InChIKey is GIRMLTXMLCERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35BrN2/c53-48-30-44(46-32-49(40-17-9-3-10-18-40)54-51(34-46)42-25-21-38(22-26-42)36-13-5-1-6-14-36)29-45(31-48)47-33-50(41-19-11-4-12-20-41)55-52(35-47)43-27-23-39(24-28-43)37-15-7-2-8-16-37/h1-35H.
What are the key properties of 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine?
4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine has a molecular weight of 767.77 g/mol, XLogP of 14.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyridine is sourced from PubChem (CID 58692889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).