2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

C74H60F6Ir5N16O2-5 — CID 158364626

About 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (PubChem CID 158364626) has the molecular formula C74H60F6Ir5N16O2-5 and a molecular weight of 2280.48 g/mol. Its IUPAC name is 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.

Molecular Properties

• Compound Name: 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
• PubChem CID: 158364626
• Molecular Formula: C74H60F6Ir5N16O2-5
• Molecular Weight: 2280.48 g/mol
• Exact Mass: 2283.32
• IUPAC Name: 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
• SMILES: CCCc1cn2ccc3ccc[c-]c3c2n1.CCc1cn2ccc3ccc[c-]c3c2n1.CN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.CN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.NCc1cn2ccc3ccc[c-]c3c2n1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir+3].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/C14H13N2.C13H11N2.C12H10N3.2C12H10N2.C6H4N5.C5H2F6O2.5Ir/c1-2-5-12-10-16-9-8-11-6-3-4-7-13(11)14(16)15-12;1-2-11-9-15-8-7-10-5-3-4-6-12(10)13(15)14-11;13-7-10-8-15-6-5-9-3-1-2-4-11(9)12(15)14-10;2*1-13-8-11-7-6-10-4-2-3-5-12(10)14(11)9-13;1-2-4-7-5(3-1)6-8-10-11-9-6;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;/h3-4,6,8-10H,2,5H2,1H3;3-5,7-9H,2H2,1H3;1-3,5-6,8H,7,13H2;2*2-4,6-9H,1H3;1-4H;1,12H;;;;;/q3*-1;2*-2;-1;;;;;;+3
• InChIKey: IGHJTNKMCVRDGY-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 193.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.48
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The IUPAC name of 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (CID 158364626) is 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.

What is the SMILES notation for 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The canonical SMILES for 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is CCCc1cn2ccc3ccc[c-]c3c2n1.CCc1cn2ccc3ccc[c-]c3c2n1.CN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.CN1C=C2C=Cc3ccc[c-]c3N2[CH-]1.NCc1cn2ccc3ccc[c-]c3c2n1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.[Ir+3].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

The InChIKey is IGHJTNKMCVRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2.C13H11N2.C12H10N3.2C12H10N2.C6H4N5.C5H2F6O2.5Ir/c1-2-5-12-10-16-9-8-11-6-3-4-7-13(11)14(16)15-12;1-2-11-9-15-8-7-10-5-3-4-6-12(10)13(15)14-11;13-7-10-8-15-6-5-9-3-1-2-4-11(9)12(15)14-10;2*1-13-8-11-7-6-10-4-2-3-5-12(10)14(11)9-13;1-2-4-7-5(3-1)6-8-10-11-9-6;6-4(7,8)2(12)1-3(13)5(9,10)11;;;;;/h3-4,6,8-10H,2,5H2,1H3;3-5,7-9H,2H2,1H3;1-3,5-6,8H,7,13H2;2*2-4,6-9H,1H3;1-4H;1,12H;;;;;/q3*-1;2*-2;-1;;;;;;+3.

What are the key properties of 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?

2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine has a molecular weight of 2280.48 g/mol, XLogP of 14.29, 6 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethanamine;tetrakis(iridium);iridium(3+);bis(2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide);2-propyl-10H-imidazo[2,1-a]isoquinolin-10-ide;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is sourced from PubChem (CID 158364626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).