tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol

C115H82F9Ir4N9O4-4 — CID 159865389

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol (PubChem CID 159865389) has the molecular formula C115H82F9Ir4N9O4-4 and a molecular weight of 2593.83 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol.

Molecular Properties

• Compound Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol
• PubChem CID: 159865389
• Molecular Formula: C115H82F9Ir4N9O4-4
• Molecular Weight: 2593.83 g/mol
• Exact Mass: 2595.49
• IUPAC Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-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.OC(c1ccccc1)(c1ccccc1)C1C=CC(C(F)(F)F)=N1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C18H14F3NO.C18H13NO.C18H15NO.C17H14N2O.3C11H6F2N.C11H8N.4Ir/c19-18(20,21)16-12-11-15(22-16)17(23,13-7-3-1-4-8-13)14-9-5-2-6-10-14;20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;3*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;;;;/h1-12,15,23H;1-12,20H;1-14,20H;2-11,20H,1H3;3*1-4,6-7H;1-6,8-9H;;;;/q;;;;4*-1
• InChIKey: MWTRHNFOTRELTC-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 188.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2593.83
LogP ≤ 5	24.51
H-Bond Donors ≤ 5	4
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 tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol?

The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol (CID 159865389) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol.

What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol?

The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-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.OC(c1ccccc1)(c1ccccc1)C1C=CC(C(F)(F)F)=N1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol?

The InChIKey is MWTRHNFOTRELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO.C18H13NO.C18H15NO.C17H14N2O.3C11H6F2N.C11H8N.4Ir/c19-18(20,21)16-12-11-15(22-16)17(23,13-7-3-1-4-8-13)14-9-5-2-6-10-14;20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;3*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;;;;/h1-12,15,23H;1-12,20H;1-14,20H;2-11,20H,1H3;3*1-4,6-7H;1-6,8-9H;;;;/q;;;;4*-1;;;;.

What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol?

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol has a molecular weight of 2593.83 g/mol, XLogP of 24.51, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;diphenyl-[5-(trifluoromethyl)-2H-pyrrol-2-yl]methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol is sourced from PubChem (CID 159865389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).