pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol

C171H119F16Ir6N15O6-6 — CID 159432066

About pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol

pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol (PubChem CID 159432066) has the molecular formula C171H119F16Ir6N15O6-6 and a molecular weight of 3937.20 g/mol. Its IUPAC name is pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol.

Molecular Properties

• Compound Name: pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol
• PubChem CID: 159432066
• Molecular Formula: C171H119F16Ir6N15O6-6
• Molecular Weight: 3937.20 g/mol
• Exact Mass: 3939.70
• IUPAC Name: pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol
• SMILES: Cc1ccn(C2(O)c3ccccc3-c3ccccc32)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC(c1ccccc1)(c1ccccc1)n1ccc(C(F)(F)F)n1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(n2ccc(C(F)(F)F)n2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C18H13NO.2C18H15NO.C17H11F3N2O.C17H13F3N2O.C17H14N2O.5C11H6F2N.C11H8N.6Ir/c20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;2*20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;18-17(19,20)15-9-10-22(21-15)16(23)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;18-17(19,20)15-11-12-22(21-15)16(23,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;5*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-12,20H;2*1-14,20H;1-10,23H;1-12,23H;2-11,20H,1H3;5*1-4,6-7H;1-6,8-9H;;;;;;/q;;;;;;6*-1
• InChIKey: WQWJILJKQDQMJK-UHFFFAOYSA-N
• XLogP: 36.93
• TPSA: 290.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3937.20
LogP ≤ 5	36.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The IUPAC name of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol (CID 159432066) is pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol.

What is the SMILES notation for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The canonical SMILES for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol is Cc1ccn(C2(O)c3ccccc3-c3ccccc32)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC(c1ccccc1)(c1ccccc1)n1ccc(C(F)(F)F)n1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(n2ccc(C(F)(F)F)n2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The InChIKey is WQWJILJKQDQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO.2C18H15NO.C17H11F3N2O.C17H13F3N2O.C17H14N2O.5C11H6F2N.C11H8N.6Ir/c20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;2*20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;18-17(19,20)15-9-10-22(21-15)16(23)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;18-17(19,20)15-11-12-22(21-15)16(23,13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;5*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;/h1-12,20H;2*1-14,20H;1-10,23H;1-12,23H;2-11,20H,1H3;5*1-4,6-7H;1-6,8-9H;;;;;;/q;;;;;;6*-1;;;;;;.

What are the key properties of pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol has a molecular weight of 3937.20 g/mol, XLogP of 36.93, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(diphenyl(pyridin-2-yl)methanol);diphenyl-[3-(trifluoromethyl)pyrazol-1-yl]methanol;hexakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol is sourced from PubChem (CID 159432066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).