tris(2-(2-bromophenyl)pyridine);iridium(3+)

C33H24Br3IrN3+3 — CID 23432438

IUPACtris(2-(2-bromophenyl)pyridine);iridium(3+)
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3]
InChIInChI=1S/3C11H8BrN.Ir/c3*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;/h3*1-8H;/q;;;+3
InChIKeyDXAUGWIDTWVGCQ-UHFFFAOYSA-N
MW894.50 g/mol
LogP10.53
Rot. Bonds3

About tris(2-(2-bromophenyl)pyridine);iridium(3+)

tris(2-(2-bromophenyl)pyridine);iridium(3+) (PubChem CID 23432438) has the molecular formula C33H24Br3IrN3+3 and a molecular weight of 894.50 g/mol. Its IUPAC name is tris(2-(2-bromophenyl)pyridine);iridium(3+).

Molecular Properties

Compound Nametris(2-(2-bromophenyl)pyridine);iridium(3+)
PubChem CID23432438
Molecular FormulaC33H24Br3IrN3+3
Molecular Weight894.50 g/mol
Exact Mass891.91
IUPAC Nametris(2-(2-bromophenyl)pyridine);iridium(3+)
SMILESBrc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3]
InChIInChI=1S/3C11H8BrN.Ir/c3*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;/h3*1-8H;/q;;;+3
InChIKeyDXAUGWIDTWVGCQ-UHFFFAOYSA-N
XLogP10.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.50
LogP ≤ 510.53
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 tris(2-(2-bromophenyl)pyridine);iridium(3+)?
The IUPAC name of tris(2-(2-bromophenyl)pyridine);iridium(3+) (CID 23432438) is tris(2-(2-bromophenyl)pyridine);iridium(3+).
What is the SMILES notation for tris(2-(2-bromophenyl)pyridine);iridium(3+)?
The canonical SMILES for tris(2-(2-bromophenyl)pyridine);iridium(3+) is Brc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.Brc1ccccc1-c1ccccn1.[Ir+3].
What is the InChIKey of tris(2-(2-bromophenyl)pyridine);iridium(3+)?
The InChIKey is DXAUGWIDTWVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H8BrN.Ir/c3*12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;/h3*1-8H;/q;;;+3.
What are the key properties of tris(2-(2-bromophenyl)pyridine);iridium(3+)?
tris(2-(2-bromophenyl)pyridine);iridium(3+) has a molecular weight of 894.50 g/mol, XLogP of 10.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2-bromophenyl)pyridine);iridium(3+) is sourced from PubChem (CID 23432438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).