CID 59479593

C16H11IrN2- — CID 59479593

IUPAC—
SMILES[CH]c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C16H11N2.Ir/c1-13-12-18(15-10-6-3-7-11-15)16(17-13)14-8-4-2-5-9-14;/h1-8,10-12H;/q-1;
InChIKeyBOPLEJADEFYPGI-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.40
Rot. Bonds2

About CID 59479593

CID 59479593 (PubChem CID 59479593) has the molecular formula C16H11IrN2- and a molecular weight of 423.50 g/mol.

Molecular Properties

Compound NameCID 59479593
PubChem CID59479593
Molecular FormulaC16H11IrN2-
Molecular Weight423.50 g/mol
Exact Mass424.06
IUPAC Name—
SMILES[CH]c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C16H11N2.Ir/c1-13-12-18(15-10-6-3-7-11-15)16(17-13)14-8-4-2-5-9-14;/h1-8,10-12H;/q-1;
InChIKeyBOPLEJADEFYPGI-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.40
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

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palladium(2+);phenylbenzene
CID 58471959
iridium;5-methoxy-1-methyl-2-phenylimidazole
CID 58769486
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CID 59661501
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
1,5-dimethyl-3-phenyl-1,2,4-triazole;iridium
CID 140884032
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
4,5-diphenyl-3-phenyl-1,2,4-triazole;iridium;pentane-2,4-diol
CID 59512739
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378

Frequently Asked Questions

What is the IUPAC name of CID 59479593?
The IUPAC name of CID 59479593 (CID 59479593) is not available.
What is the SMILES notation for CID 59479593?
The canonical SMILES for CID 59479593 is [CH]c1cn(-c2ccccc2)c(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of CID 59479593?
The InChIKey is BOPLEJADEFYPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2.Ir/c1-13-12-18(15-10-6-3-7-11-15)16(17-13)14-8-4-2-5-9-14;/h1-8,10-12H;/q-1;.
What are the key properties of CID 59479593?
CID 59479593 has a molecular weight of 423.50 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59479593 is sourced from PubChem (CID 59479593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).