5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)

C57H36IrN3 — CID 140838450

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
SMILES[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)c2)cn1
InChIInChI=1S/C57H36N3.Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;/h1-16,18,20,22-39H;/q-3;+3
InChIKeyBOQKKRWCAZKTKK-UHFFFAOYSA-N
MW955.15 g/mol
LogP14.27
Rot. Bonds9

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+) (PubChem CID 140838450) has the molecular formula C57H36IrN3 and a molecular weight of 955.15 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+).

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
PubChem CID140838450
Molecular FormulaC57H36IrN3
Molecular Weight955.15 g/mol
Exact Mass955.25
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
SMILES[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)c2)cn1
InChIInChI=1S/C57H36N3.Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;/h1-16,18,20,22-39H;/q-3;+3
InChIKeyBOQKKRWCAZKTKK-UHFFFAOYSA-N
XLogP14.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.15
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 153458738
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)
CID 167363099
iridium(3+);2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 164776191
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 167363064
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
CID 164805188
CID 164805188
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
CID 159641565
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)
CID 157240153
iridium(3+);2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)ethyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]ethyl]pyridine
CID 165149589
5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458523

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+) (CID 140838450) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+).
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+) is [Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)cc(-c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)c2)cn1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)?
The InChIKey is BOQKKRWCAZKTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N3.Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;/h1-16,18,20,22-39H;/q-3;+3.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+) has a molecular weight of 955.15 g/mol, XLogP of 14.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+) is sourced from PubChem (CID 140838450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).