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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)

C114H90Ir6N11O6-7 — CID 157226693

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine) (PubChem CID 157226693) has the molecular formula C114H90Ir6N11O6-7 and a molecular weight of 2863.35 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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine).

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)
• PubChem CID: 157226693
• Molecular Formula: C114H90Ir6N11O6-7
• Molecular Weight: 2863.35 g/mol
• Exact Mass: 2866.49
• 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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)
• SMILES: CC(C)(C)c1cc2ccc[c-]c2c2nc3ccccc3n12.CC(C)(C)c1ccc2nc3c4[c-]cccc4ccn3c2c1.Cc1cccc2oc(=O)c3cccnc3c12.Cc1nc2c3[c-]cccc3c(C(C)(C)C)cn2c1C.O=c1oc2ccc[c-]c2c2ncccc12.O=c1oc2ccc[c-]c2c2ncccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/2C19H17N2.C17H19N2.C13H9NO2.2C12H6NO2.2C11H8N.6Ir/c1-19(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;1-11-12(2)19-10-15(17(3,4)5)13-8-6-7-9-14(13)16(19)18-11;1-8-4-2-6-10-11(8)12-9(13(15)16-10)5-3-7-14-12;2*14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h4-8,10-12H,1-3H3;4-6,8-12H,1-3H3;6-8,10H,1-5H3;2-7H,1H3;2*1-3,5-7H;2*1-6,8-9H;;;;;;/q3*-1;;4*-1
• InChIKey: MANDBQGFLPTOOB-UHFFFAOYSA-N
• XLogP: 25.69
• TPSA: 206.98 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 2
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2863.35
LogP ≤ 5	25.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)?

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine) (CID 157226693) 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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine).

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)?

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine) is CC(C)(C)c1cc2ccc[c-]c2c2nc3ccccc3n12.CC(C)(C)c1ccc2nc3c4[c-]cccc4ccn3c2c1.Cc1cccc2oc(=O)c3cccnc3c12.Cc1nc2c3[c-]cccc3c(C(C)(C)C)cn2c1C.O=c1oc2ccc[c-]c2c2ncccc12.O=c1oc2ccc[c-]c2c2ncccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)?

The InChIKey is MANDBQGFLPTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N2.C17H19N2.C13H9NO2.2C12H6NO2.2C11H8N.6Ir/c1-19(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;1-11-12(2)19-10-15(17(3,4)5)13-8-6-7-9-14(13)16(19)18-11;1-8-4-2-6-10-11(8)12-9(13(15)16-10)5-3-7-14-12;2*14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h4-8,10-12H,1-3H3;4-6,8-12H,1-3H3;6-8,10H,1-5H3;2-7H,1H3;2*1-3,5-7H;2*1-6,8-9H;;;;;;/q3*-1;;4*-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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine)?

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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine) has a molecular weight of 2863.35 g/mol, XLogP of 25.69, 2 rotatable bonds, 0 hydrogen bond donors, and 17 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-2,3-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;bis(10H-chromeno[4,3-b]pyridin-10-id-5-one);hexakis(iridium);10-methylchromeno[4,3-b]pyridin-5-one;bis(2-phenylpyridine) is sourced from PubChem (CID 157226693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).