tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)

C33H27IrN6 — CID 58401512

IUPACtris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)
SMILES[Ir+3].[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2
InChIInChI=1S/3C11H9N2.Ir/c3*1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h3*1-3,6,8H,5,7H2;/q3*-1;+3
InChIKeyDMBZCJIJLCAQAX-UHFFFAOYSA-N
MW699.84 g/mol
LogP5.72
Rot. Bonds

About tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)

tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+) (PubChem CID 58401512) has the molecular formula C33H27IrN6 and a molecular weight of 699.84 g/mol. Its IUPAC name is tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+).

Molecular Properties

Compound Nametris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)
PubChem CID58401512
Molecular FormulaC33H27IrN6
Molecular Weight699.84 g/mol
Exact Mass700.19
IUPAC Nametris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)
SMILES[Ir+3].[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2
InChIInChI=1S/3C11H9N2.Ir/c3*1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h3*1-3,6,8H,5,7H2;/q3*-1;+3
InChIKeyDMBZCJIJLCAQAX-UHFFFAOYSA-N
XLogP5.72
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.84
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);platinum(2+)
CID 58401688
Iridium(3+);tris(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401797
3a,4,5,9-tetrahydrobenzo[g]indol-9-ide;bis(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)
CID 59661521
10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;bis(1-methyl-3-phenyl-2H-imidazol-2-ide)
CID 140876493
iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-(3-propan-2-ylbenzene-6-id-1-yl)-1-[4-[3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625582
iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-(3H-pyridin-3-id-2-yl)-1-[4-[3-(3H-pyridin-3-id-2-yl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625588
iridium;1-methyl-3-(3-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;3-(4H-pyridin-4-id-3-yl)-1-[4-[3-(4H-pyridin-4-id-3-yl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]butyl]-2H-imidazo[4,5-b]pyrazin-2-ide
CID 155625615

Frequently Asked Questions

What is the IUPAC name of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)?
The IUPAC name of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+) (CID 58401512) is tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+).
What is the SMILES notation for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)?
The canonical SMILES for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+) is [Ir+3].[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.
What is the InChIKey of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)?
The InChIKey is DMBZCJIJLCAQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H9N2.Ir/c3*1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;/h3*1-3,6,8H,5,7H2;/q3*-1;+3.
What are the key properties of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+)?
tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+) has a molecular weight of 699.84 g/mol, XLogP of 5.72, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);iridium(3+) is sourced from PubChem (CID 58401512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).