iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine

C24H19IrN3-2 — CID 58991687

IUPACiridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
SMILESCC1=C(n2cccn2)c2[c-]cccc2C1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H11N2.C11H8N.Ir/c1-10-9-11-5-2-3-6-12(11)13(10)15-8-4-7-14-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-8H,9H2,1H3;1-6,8-9H;/q2*-1;
InChIKeyBPZLVFVEVPPMIU-UHFFFAOYSA-N
MW541.65 g/mol
LogP5.06
Rot. Bonds2

About iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine

iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine (PubChem CID 58991687) has the molecular formula C24H19IrN3-2 and a molecular weight of 541.65 g/mol. Its IUPAC name is iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
PubChem CID58991687
Molecular FormulaC24H19IrN3-2
Molecular Weight541.65 g/mol
Exact Mass542.12
IUPAC Nameiridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
SMILESCC1=C(n2cccn2)c2[c-]cccc2C1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H11N2.C11H8N.Ir/c1-10-9-11-5-2-3-6-12(11)13(10)15-8-4-7-14-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-8H,9H2,1H3;1-6,8-9H;/q2*-1;
InChIKeyBPZLVFVEVPPMIU-UHFFFAOYSA-N
XLogP5.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 55.06
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

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2,6-dimethyl-3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenylpyrazole;tris(2-phenylpyridine);pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine?
The IUPAC name of iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine (CID 58991687) is iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine.
What is the SMILES notation for iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine?
The canonical SMILES for iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine is CC1=C(n2cccn2)c2[c-]cccc2C1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine?
The InChIKey is BPZLVFVEVPPMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2.C11H8N.Ir/c1-10-9-11-5-2-3-6-12(11)13(10)15-8-4-7-14-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-5,7-8H,9H2,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine?
iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine has a molecular weight of 541.65 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine is sourced from PubChem (CID 58991687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).