bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

C104H90Ir4N6-6 — CID 161189709

About bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)

bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (PubChem CID 161189709) has the molecular formula C104H90Ir4N6-6 and a molecular weight of 2192.77 g/mol. Its IUPAC name is bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• PubChem CID: 161189709
• Molecular Formula: C104H90Ir4N6-6
• Molecular Weight: 2192.77 g/mol
• Exact Mass: 2194.58
• IUPAC Name: bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
• SMILES: CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC1(c2ccnc(-c3[c-]ccc(-c4ccccc4)c3)c2)CC1.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C21H18N.2C21H20N.C19H16N.2C11H8N.4Ir/c1-21(11-12-21)19-10-13-22-20(15-19)18-9-5-8-17(14-18)16-6-3-2-4-7-16;2*1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-11-19(20-13-15(14)2)18-10-6-9-17(12-18)16-7-4-3-5-8-16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-8,10,13-15H,11-12H2,1H3;2*4-10,12-15H,1-3H3;3-9,11-13H,1-2H3;2*1-6,8-9H;;;;/q6*-1
• InChIKey: APEMGZHYSXPTAS-UHFFFAOYSA-N
• XLogP: 26.21
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2192.77
LogP ≤ 5	26.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The IUPAC name of bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) (CID 161189709) is bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine).

What is the SMILES notation for bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The canonical SMILES for bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC1(c2ccnc(-c3[c-]ccc(-c4ccccc4)c3)c2)CC1.Cc1cnc(-c2[c-]ccc(-c3ccccc3)c2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

The InChIKey is APEMGZHYSXPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N.2C21H20N.C19H16N.2C11H8N.4Ir/c1-21(11-12-21)19-10-13-22-20(15-19)18-9-5-8-17(14-18)16-6-3-2-4-7-16;2*1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-11-19(20-13-15(14)2)18-10-6-9-17(12-18)16-7-4-3-5-8-16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h2-8,10,13-15H,11-12H2,1H3;2*4-10,12-15H,1-3H3;3-9,11-13H,1-2H3;2*1-6,8-9H;;;;/q6*-1;;;;.

What are the key properties of bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)?

bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) has a molecular weight of 2192.77 g/mol, XLogP of 26.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);4-(1-methylcyclopropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine) is sourced from PubChem (CID 161189709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).