3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)

C101H72Ir3N7OSi-5 — CID 161065458

About 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)

3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine) (PubChem CID 161065458) has the molecular formula C101H72Ir3N7OSi-5 and a molecular weight of 2004.47 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine).

Molecular Properties

• Compound Name: 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)
• PubChem CID: 161065458
• Molecular Formula: C101H72Ir3N7OSi-5
• Molecular Weight: 2004.47 g/mol
• Exact Mass: 2005.45
• IUPAC Name: 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)
• SMILES: Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1Oc1cc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)ccn1
• InChI: InChI=1S/C35H22NOSi.C23H19N2.C21H15N2.2C11H8N.3Ir/c1-2-10-26(11-3-1)37-35-23-25(20-21-36-35)24-18-19-30-29-14-6-9-17-33(29)38(34(30)22-24)31-15-7-4-12-27(31)28-13-5-8-16-32(28)38;1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-10,12-23H;3-11,13-16H,1-2H3;1-9,11-16H;2*1-6,8-9H;;;/q5*-1
• InChIKey: GRHPXFRLAICHBX-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 83.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2004.47
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)?

The IUPAC name of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine) (CID 161065458) is 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine).

What is the SMILES notation for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)?

The canonical SMILES for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine) is Cc1nn(-c2[c-]cccc2)c(C)c1-c1ccc(-c2ccccc2)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cc(-c2ccc(-c3ccccc3)cc2)cn1.[c-]1ccccc1Oc1cc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)ccn1.

What is the InChIKey of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)?

The InChIKey is GRHPXFRLAICHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22NOSi.C23H19N2.C21H15N2.2C11H8N.3Ir/c1-2-10-26(11-3-1)37-35-23-25(20-21-36-35)24-18-19-30-29-14-6-9-17-33(29)38(34(30)22-24)31-15-7-4-12-27(31)28-13-5-8-16-32(28)38;1-17-23(18(2)25(24-17)22-11-7-4-8-12-22)21-15-13-20(14-16-21)19-9-5-3-6-10-19;1-3-7-17(8-4-1)18-11-13-19(14-12-18)20-15-22-23(16-20)21-9-5-2-6-10-21;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-10,12-23H;3-11,13-16H,1-2H3;1-9,11-16H;2*1-6,8-9H;;;/q5*-1;;;.

What are the key properties of 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine)?

3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine) has a molecular weight of 2004.47 g/mol, XLogP of 21.40, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;tris(iridium);2-(phenoxy)-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyridine;1-phenyl-4-(4-phenylphenyl)pyrazole;bis(2-phenylpyridine) is sourced from PubChem (CID 161065458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).