tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))

C99H95Ir3N19-2 — CID 159052882

About tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))

tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)) (PubChem CID 159052882) has the molecular formula C99H95Ir3N19-2 and a molecular weight of 2127.63 g/mol. Its IUPAC name is tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)).

Molecular Properties

• Compound Name: tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))
• PubChem CID: 159052882
• Molecular Formula: C99H95Ir3N19-2
• Molecular Weight: 2127.63 g/mol
• Exact Mass: 2128.69
• IUPAC Name: tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))
• SMILES: Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1cnc(-c2[c-]cccc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C.[Ir+3].[Ir+3].[Ir].[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.c1ccc(-c2ncc[nH]2)nc1
• InChI: InChI=1S/3C12H13N2.3C11H9N2.2C11H11N2.C8H7N3.3Ir/c3*1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;3*1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;2*1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-2-4-9-7(3-1)8-10-5-6-11-8;;;/h3*4,6-8H,1-3H3;3*1-3,6,8H,5,7H2;2*3-6,8H,1-2H3;1-6H,(H,10,11);;;/q8*-1;;;2*+3
• InChIKey: RZIICUCBOYKACJ-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 184.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.63
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))?

The IUPAC name of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)) (CID 159052882) is tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)).

What is the SMILES notation for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))?

The canonical SMILES for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)) is Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1c[c-]c(-c2nccn2C)c(C)c1.Cc1cnc(-c2[c-]cccc2)n1C.Cc1cnc(-c2[c-]cccc2)n1C.[Ir+3].[Ir+3].[Ir].[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.[c-]1cccc2c1-c1nccn1CC2.c1ccc(-c2ncc[nH]2)nc1.

What is the InChIKey of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))?

The InChIKey is RZIICUCBOYKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N2.3C11H9N2.2C11H11N2.C8H7N3.3Ir/c3*1-9-4-5-11(10(2)8-9)12-13-6-7-14(12)3;3*1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;2*1-9-8-12-11(13(9)2)10-6-4-3-5-7-10;1-2-4-9-7(3-1)8-10-5-6-11-8;;;/h3*4,6-8H,1-3H3;3*1-3,6,8H,5,7H2;2*3-6,8H,1-2H3;1-6H,(H,10,11);;;/q8*-1;;;2*+3.

What are the key properties of tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+))?

tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)) has a molecular weight of 2127.63 g/mol, XLogP of 19.09, 6 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide);tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);bis(1,5-dimethyl-2-phenylimidazole);2-(1H-imidazol-2-yl)pyridine;iridium;bis(iridium(3+)) is sourced from PubChem (CID 159052882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).