6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)

C98H94Ir5N13-5 — CID 159757292

About 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)

6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium) (PubChem CID 159757292) has the molecular formula C98H94Ir5N13-5 and a molecular weight of 2415.01 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium).

Molecular Properties

• Compound Name: 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)
• PubChem CID: 159757292
• Molecular Formula: C98H94Ir5N13-5
• Molecular Weight: 2415.01 g/mol
• Exact Mass: 2417.59
• IUPAC Name: 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)
• SMILES: CC(C)(C)c1c[c-]c2c(cc(C(C)(C)C)n3c4ccccc4nc23)n1.CC(C)(C)c1cc2ccc[c-]c2c2nc3ccccc3n12.CC(C)(C)c1ccc2nc3c4[c-]cccc4ccn3c2c1.CC(C)(C)c1nc2ccc[c-]c2c2nc3ccccc3n12.Cc1cc2nc3c4[c-]cc(C(C)(C)C)nc4ccn3c2cc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H24N3.C20H20N3.2C19H17N2.C18H16N3.5Ir/c1-21(2,3)18-12-11-14-16(23-18)13-19(22(4,5)6)25-17-10-8-7-9-15(17)24-20(14)25;1-12-10-16-17(11-13(12)2)23-9-8-15-14(19(23)22-16)6-7-18(21-15)20(3,4)5;1-19(2,3)17-12-13-8-4-5-9-14(13)18-20-15-10-6-7-11-16(15)21(17)18;1-19(2,3)14-8-9-16-17(12-14)21-11-10-13-6-4-5-7-15(13)18(21)20-16;1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17;;;;;/h7-10,12-13H,1-6H3;7-11H,1-5H3;4-8,10-12H,1-3H3;4-6,8-12H,1-3H3;4-7,9-11H,1-3H3;;;;;/q5*-1
• InChIKey: XISMRKHURKMUQH-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 125.17 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.01
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)?

The IUPAC name of 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium) (CID 159757292) is 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium).

What is the SMILES notation for 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)?

The canonical SMILES for 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium) is CC(C)(C)c1c[c-]c2c(cc(C(C)(C)C)n3c4ccccc4nc23)n1.CC(C)(C)c1cc2ccc[c-]c2c2nc3ccccc3n12.CC(C)(C)c1ccc2nc3c4[c-]cccc4ccn3c2c1.CC(C)(C)c1nc2ccc[c-]c2c2nc3ccccc3n12.Cc1cc2nc3c4[c-]cc(C(C)(C)C)nc4ccn3c2cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)?

The InChIKey is XISMRKHURKMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3.C20H20N3.2C19H17N2.C18H16N3.5Ir/c1-21(2,3)18-12-11-14-16(23-18)13-19(22(4,5)6)25-17-10-8-7-9-15(17)24-20(14)25;1-12-10-16-17(11-13(12)2)23-9-8-15-14(19(23)22-16)6-7-18(21-15)20(3,4)5;1-19(2,3)17-12-13-8-4-5-9-14(13)18-20-15-10-6-7-11-16(15)21(17)18;1-19(2,3)14-8-9-16-17(12-14)21-11-10-13-6-4-5-7-15(13)18(21)20-16;1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17;;;;;/h7-10,12-13H,1-6H3;7-11H,1-5H3;4-8,10-12H,1-3H3;4-6,8-12H,1-3H3;4-7,9-11H,1-3H3;;;;;/q5*-1;;;;;.

What are the key properties of 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)?

6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium) has a molecular weight of 2415.01 g/mol, XLogP of 23.78, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium) is sourced from PubChem (CID 159757292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).