bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine

C33H25Br2IrN3+3 — CID 23432437

IUPACbis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/2C11H8BrN.C11H9N.Ir/c2*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-8H;1-9H;/q;;;+3
InChIKeyYVKNBOUDGFNPEP-UHFFFAOYSA-N
MW815.61 g/mol
LogP9.77
Rot. Bonds3

About bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine

bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine (PubChem CID 23432437) has the molecular formula C33H25Br2IrN3+3 and a molecular weight of 815.61 g/mol. Its IUPAC name is bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine.

Molecular Properties

Compound Namebis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine
PubChem CID23432437
Molecular FormulaC33H25Br2IrN3+3
Molecular Weight815.61 g/mol
Exact Mass814.00
IUPAC Namebis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/2C11H8BrN.C11H9N.Ir/c2*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-8H;1-9H;/q;;;+3
InChIKeyYVKNBOUDGFNPEP-UHFFFAOYSA-N
XLogP9.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.61
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2-(2-Bromophenyl)pyridine
CID 13223929
5-Bromo-2-phenylpyridine
CID 2762862
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
5-Bromo-2,3'-bipyridine
CID 11390677
Tris(2-phenylpyridine)iridium
CID 45358635
4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine
CID 51358305
N-(4-bromophenyl)-N-[phenyl(4-pyridinyl)methylene]amine
CID 668067
4'-Phenyl-3,2':6',3''-terpyridine
CID 219377
2-(4-Bromophenyl)-5-cyclohexylpyridine
CID 767868

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine?
The IUPAC name of bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine (CID 23432437) is bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine.
What is the SMILES notation for bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine?
The canonical SMILES for bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine is Brc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3].c1ccc(-c2ccccn2)cc1.
What is the InChIKey of bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine?
The InChIKey is YVKNBOUDGFNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8BrN.C11H9N.Ir/c2*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-8H;1-9H;/q;;;+3.
What are the key properties of bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine?
bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine has a molecular weight of 815.61 g/mol, XLogP of 9.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-bromophenyl)pyridine);iridium(3+);2-phenylpyridine is sourced from PubChem (CID 23432437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).