3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine

C108H83F2Ir4N5-4 — CID 158017624

About 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine

3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine (PubChem CID 158017624) has the molecular formula C108H83F2Ir4N5-4 and a molecular weight of 2263.79 g/mol. Its IUPAC name is 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine
• PubChem CID: 158017624
• Molecular Formula: C108H83F2Ir4N5-4
• Molecular Weight: 2263.79 g/mol
• Exact Mass: 2265.55
• IUPAC Name: 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine
• SMILES: Cc1cc(-c2[c-]cc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4c[c-]c(-c5ncc(F)cc5F)cn4)c(C)c3C)cc2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4c[c-]c(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)c(C)c3C)cc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C58H46N2.C50H37F2N3.4Ir/c1-37-33-55(59-35-53(37)43-17-9-7-10-18-43)47-29-25-45(26-30-47)49-21-13-15-23-51(49)57-39(3)41(5)58(42(6)40(57)4)52-24-16-14-22-50(52)46-27-31-48(32-28-46)56-34-38(2)54(36-60-56)44-19-11-8-12-20-44;1-30-25-47(54-29-44(30)35-13-7-6-8-14-35)37-21-19-36(20-22-37)40-15-9-11-17-42(40)48-31(2)33(4)49(34(5)32(48)3)43-18-12-10-16-41(43)46-24-23-38(27-53-46)50-45(52)26-39(51)28-55-50;;;;/h7-29,31,33-36H,1-6H3;6-21,24-29H,1-5H3;;;;/q2*-2;;;;/i1D3,2D3
• InChIKey: SOABHTBUHKHNPX-ZROTWQINSA-N
• XLogP: 28.21
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2263.79
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?

The IUPAC name of 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine (CID 158017624) is 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine.

What is the SMILES notation for 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?

The canonical SMILES for 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine is Cc1cc(-c2[c-]cc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4c[c-]c(-c5ncc(F)cc5F)cn4)c(C)c3C)cc2)ncc1-c1ccccc1.[2H]C([2H])([2H])c1cc(-c2[c-]cc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4c[c-]c(-c5cc(C([2H])([2H])[2H])c(-c6ccccc6)cn5)cc4)c(C)c3C)cc2)ncc1-c1ccccc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?

The InChIKey is SOABHTBUHKHNPX-ZROTWQINSA-N. The full InChI is InChI=1S/C58H46N2.C50H37F2N3.4Ir/c1-37-33-55(59-35-53(37)43-17-9-7-10-18-43)47-29-25-45(26-30-47)49-21-13-15-23-51(49)57-39(3)41(5)58(42(6)40(57)4)52-24-16-14-22-50(52)46-27-31-48(32-28-46)56-34-38(2)54(36-60-56)44-19-11-8-12-20-44;1-30-25-47(54-29-44(30)35-13-7-6-8-14-35)37-21-19-36(20-22-37)40-15-9-11-17-42(40)48-31(2)33(4)49(34(5)32(48)3)43-18-12-10-16-41(43)46-24-23-38(27-53-46)50-45(52)26-39(51)28-55-50;;;;/h7-29,31,33-36H,1-6H3;6-21,24-29H,1-5H3;;;;/q2*-2;;;;/i1D3,2D3;;;;;.

What are the key properties of 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?

3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine has a molecular weight of 2263.79 g/mol, XLogP of 28.21, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-2-[6-[2-[2,3,5,6-tetramethyl-4-[2-[4-(4-methyl-5-phenyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-4H-pyridin-4-id-3-yl]pyridine;tetrakis(iridium);5-phenyl-2-[4-[2-[2,3,5,6-tetramethyl-4-[2-[4-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 158017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).