3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C15H15IrN2- — CID 58517460

IUPAC3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCC(C)(C)c1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C15H15N2.Ir/c1-15(2,3)13-10-16-14-12-7-5-4-6-11(12)8-9-17(13)14;/h4-6,8-10H,1-3H3;/q-1;
InChIKeyMMYVVHMKAGGCAW-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.58
Rot. Bonds

About 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 58517460) has the molecular formula C15H15IrN2- and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID58517460
Molecular FormulaC15H15IrN2-
Molecular Weight415.52 g/mol
Exact Mass416.09
IUPAC Name3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESCC(C)(C)c1cnc2c3[c-]cccc3ccn12.[Ir]
InChIInChI=1S/C15H15N2.Ir/c1-15(2,3)13-10-16-14-12-7-5-4-6-11(12)8-9-17(13)14;/h4-6,8-10H,1-3H3;/q-1;
InChIKeyMMYVVHMKAGGCAW-UHFFFAOYSA-N
XLogP3.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 58517460) is 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is CC(C)(C)c1cnc2c3[c-]cccc3ccn12.[Ir].
What is the InChIKey of 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is MMYVVHMKAGGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2.Ir/c1-15(2,3)13-10-16-14-12-7-5-4-6-11(12)8-9-17(13)14;/h4-6,8-10H,1-3H3;/q-1;.
What are the key properties of 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 415.52 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58517460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).