CID 59340238

C12H9IrN2- — CID 59340238

IUPAC—
SMILES[CH]Cc1nccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-2-12-13-9-8-11(14-12)10-6-4-3-5-7-10;/h1,3-6,8-9H,2H2;/q-1;
InChIKeyXAEQSCGZJBMZFV-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.19
Rot. Bonds2

About CID 59340238

CID 59340238 (PubChem CID 59340238) has the molecular formula C12H9IrN2- and a molecular weight of 373.44 g/mol.

Molecular Properties

Compound NameCID 59340238
PubChem CID59340238
Molecular FormulaC12H9IrN2-
Molecular Weight373.44 g/mol
Exact Mass374.04
IUPAC Name—
SMILES[CH]Cc1nccc(-c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C12H9N2.Ir/c1-2-12-13-9-8-11(14-12)10-6-4-3-5-7-10;/h1,3-6,8-9H,2H2;/q-1;
InChIKeyXAEQSCGZJBMZFV-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.19
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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iridium;phenylbenzene
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bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
bromonickel;2-phenyl-6-pyridin-2-ylpyridine
CID 153499013
carbanide;2-phenylquinoline;platinum
CID 21044184
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
CID 59782046
chlorozinc(1+);2-phenylpyridine
CID 59773311
2-phenyl-6-(2H-pyridin-2-id-6-ylmethyl)pyridine;platinum;yttrium
CID 59399308
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692

Frequently Asked Questions

What is the IUPAC name of CID 59340238?
The IUPAC name of CID 59340238 (CID 59340238) is not available.
What is the SMILES notation for CID 59340238?
The canonical SMILES for CID 59340238 is [CH]Cc1nccc(-c2[c-]cccc2)n1.[Ir].
What is the InChIKey of CID 59340238?
The InChIKey is XAEQSCGZJBMZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2.Ir/c1-2-12-13-9-8-11(14-12)10-6-4-3-5-7-10;/h1,3-6,8-9H,2H2;/q-1;.
What are the key properties of CID 59340238?
CID 59340238 has a molecular weight of 373.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340238 is sourced from PubChem (CID 59340238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).