iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline

C26H17IrN2- — CID 140786243

IUPACiridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline
SMILES[Ir].[c-]1ccc(-c2cnccc2-c2ccccc2)cc1-c1nccc2ccccc12
InChIInChI=1S/C26H17N2.Ir/c1-2-7-19(8-3-1)23-14-15-27-18-25(23)21-10-6-11-22(17-21)26-24-12-5-4-9-20(24)13-16-28-26;/h1-10,12-18H;/q-1;
InChIKeyWDVZQXUALPPQFK-UHFFFAOYSA-N
MW549.65 g/mol
LogP6.43
Rot. Bonds3

About iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline

iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline (PubChem CID 140786243) has the molecular formula C26H17IrN2- and a molecular weight of 549.65 g/mol. Its IUPAC name is iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline.

Molecular Properties

Compound Nameiridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline
PubChem CID140786243
Molecular FormulaC26H17IrN2-
Molecular Weight549.65 g/mol
Exact Mass550.10
IUPAC Nameiridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline
SMILES[Ir].[c-]1ccc(-c2cnccc2-c2ccccc2)cc1-c1nccc2ccccc12
InChIInChI=1S/C26H17N2.Ir/c1-2-7-19(8-3-1)23-14-15-27-18-25(23)21-10-6-11-22(17-21)26-24-12-5-4-9-20(24)13-16-28-26;/h1-10,12-18H;/q-1;
InChIKeyWDVZQXUALPPQFK-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786226
1-[3-[4-(3,5-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786279
1-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium;1-phenylisoquinoline
CID 140587029
iridium;1-[3-(3-methylphenyl)benzene-6-id-1-yl]isoquinoline
CID 147779107
1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140587086
iridium;2-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-4-phenylquinazoline
CID 140786194
1-[3-[4-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786432
1-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140587074
iridium;1-[3-[3-(2-phenylpropan-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline
CID 164927697
2-[3-[3-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);tris(1-phenylisoquinoline);2-phenylpyridine
CID 157485736
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;tetrakis(iridium);3-[3-(3-isoquinolin-1-ylbenzene-4-id-1-yl)phenyl]-N,N,5-triphenylaniline;1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;tetrakis(1-phenylisoquinoline)
CID 158411565

Frequently Asked Questions

What is the IUPAC name of iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline?
The IUPAC name of iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline (CID 140786243) is iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline.
What is the SMILES notation for iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline?
The canonical SMILES for iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline is [Ir].[c-]1ccc(-c2cnccc2-c2ccccc2)cc1-c1nccc2ccccc12.
What is the InChIKey of iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline?
The InChIKey is WDVZQXUALPPQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N2.Ir/c1-2-7-19(8-3-1)23-14-15-27-18-25(23)21-10-6-11-22(17-21)26-24-12-5-4-9-20(24)13-16-28-26;/h1-10,12-18H;/q-1;.
What are the key properties of iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline?
iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline has a molecular weight of 549.65 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-[3-(4-phenyl-3-pyridinyl)benzene-6-id-1-yl]isoquinoline is sourced from PubChem (CID 140786243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).