CID 58517988

C15H9IrN2- — CID 58517988

IUPAC—
SMILES[Ir].[c-]1cc2ccccc2c2ccn3ccnc3c12
InChIInChI=1S/C15H9N2.Ir/c1-2-4-12-11(3-1)5-6-14-13(12)7-9-17-10-8-16-15(14)17;/h1-5,7-10H;/q-1;
InChIKeyFGVJXNPKMICMLU-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.44
Rot. Bonds

About CID 58517988

CID 58517988 (PubChem CID 58517988) has the molecular formula C15H9IrN2- and a molecular weight of 409.47 g/mol.

Molecular Properties

Compound NameCID 58517988
PubChem CID58517988
Molecular FormulaC15H9IrN2-
Molecular Weight409.47 g/mol
Exact Mass410.04
IUPAC Name—
SMILES[Ir].[c-]1cc2ccccc2c2ccn3ccnc3c12
InChIInChI=1S/C15H9N2.Ir/c1-2-4-12-11(3-1)5-6-14-13(12)7-9-17-10-8-16-15(14)17;/h1-5,7-10H;/q-1;
InChIKeyFGVJXNPKMICMLU-UHFFFAOYSA-N
XLogP3.44
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
2-Phenylimidazo(1,2-a)pyridine
CID 201136
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
6-(5-fluoro-2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44219718
2,3-Diphenylimidazo[1,2-a]pyridine
CID 722214

Frequently Asked Questions

What is the IUPAC name of CID 58517988?
The IUPAC name of CID 58517988 (CID 58517988) is not available.
What is the SMILES notation for CID 58517988?
The canonical SMILES for CID 58517988 is [Ir].[c-]1cc2ccccc2c2ccn3ccnc3c12.
What is the InChIKey of CID 58517988?
The InChIKey is FGVJXNPKMICMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N2.Ir/c1-2-4-12-11(3-1)5-6-14-13(12)7-9-17-10-8-16-15(14)17;/h1-5,7-10H;/q-1;.
What are the key properties of CID 58517988?
CID 58517988 has a molecular weight of 409.47 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58517988 is sourced from PubChem (CID 58517988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).