5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane

C53H39BrN2 — CID 158084559

IUPAC5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane
SMILESBrc1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.C
InChIInChI=1S/C52H35BrN2.CH4/c53-42-30-40(43-25-13-15-27-45(43)49-34-54-51(38-21-9-3-10-22-38)32-47(49)36-17-5-1-6-18-36)29-41(31-42)44-26-14-16-28-46(44)50-35-55-52(39-23-11-4-12-24-39)33-48(50)37-19-7-2-8-20-37;/h1-35H;1H4
InChIKeyFNIVISQXLRIJHI-UHFFFAOYSA-N
MW783.81 g/mol
LogP15.21
Rot. Bonds8

About 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane

5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane (PubChem CID 158084559) has the molecular formula C53H39BrN2 and a molecular weight of 783.81 g/mol. Its IUPAC name is 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane.

Molecular Properties

Compound Name5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane
PubChem CID158084559
Molecular FormulaC53H39BrN2
Molecular Weight783.81 g/mol
Exact Mass782.23
IUPAC Name5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane
SMILESBrc1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.C
InChIInChI=1S/C52H35BrN2.CH4/c53-42-30-40(43-25-13-15-27-45(43)49-34-54-51(38-21-9-3-10-22-38)32-47(49)36-17-5-1-6-18-36)29-41(31-42)44-26-14-16-28-46(44)50-35-55-52(39-23-11-4-12-24-39)33-48(50)37-19-7-2-8-20-37;/h1-35H;1H4
InChIKeyFNIVISQXLRIJHI-UHFFFAOYSA-N
XLogP15.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.81
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane with MolForge

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Related Compounds

benzene;5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine;ethane
CID 145132481
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2,4-diphenylpyridine
CID 165148497
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
CID 142521070
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
5-(2-bromophenyl)-4-methyl-2-phenylpyridine
CID 122487761
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
2-(4-fluorophenyl)-5-[2-[3-methyl-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-propan-2-ylpyridine
CID 162085107
2-phenyl-5-[2-[3-[2-[6-[3-(3-phenylphenyl)phenyl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153458053
2,5-diphenylpyridin-4-amine
CID 156768579
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-bromo-4,5-diphenylpyridine
CID 118667529

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane?
The IUPAC name of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane (CID 158084559) is 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane.
What is the SMILES notation for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane?
The canonical SMILES for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane is Brc1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1.C.
What is the InChIKey of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane?
The InChIKey is FNIVISQXLRIJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35BrN2.CH4/c53-42-30-40(43-25-13-15-27-45(43)49-34-54-51(38-21-9-3-10-22-38)32-47(49)36-17-5-1-6-18-36)29-41(31-42)44-26-14-16-28-46(44)50-35-55-52(39-23-11-4-12-24-39)33-48(50)37-19-7-2-8-20-37;/h1-35H;1H4.
What are the key properties of 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane?
5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane has a molecular weight of 783.81 g/mol, XLogP of 15.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2,4-diphenylpyridine;methane is sourced from PubChem (CID 158084559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).