4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine

C196H136Ir4N10S-4 — CID 159574513

About 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine

4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 159574513) has the molecular formula C196H136Ir4N10S-4 and a molecular weight of 3432.25 g/mol. Its IUPAC name is 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 159574513
• Molecular Formula: C196H136Ir4N10S-4
• Molecular Weight: 3432.25 g/mol
• Exact Mass: 3432.92
• IUPAC Name: 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine
• SMILES: Cc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)nc(-c3cccc(-c4cc[c-]c(-c5ccccn5)c4)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccs4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1-c1ccccn1
• InChI: InChI=1S/C71H48N.C55H36N5.C37H30N3.C33H22NS.4Ir/c1-5-19-50(20-6-1)62-41-63(51-21-7-2-8-22-51)44-66(43-62)57-30-16-32-59(38-57)69-47-68(56-29-15-27-54(37-56)55-28-18-34-61(40-55)71-35-13-14-36-72-71)48-70(49-69)60-33-17-31-58(39-60)67-45-64(52-23-9-3-10-24-52)42-65(46-67)53-25-11-4-12-26-53;1-5-17-38(18-6-1)50-36-51(39-19-7-2-8-20-39)58-54(57-50)47-33-46(44-27-15-25-42(31-44)43-26-16-28-45(32-43)49-29-13-14-30-56-49)34-48(35-47)55-59-52(40-21-9-3-10-22-40)37-53(60-55)41-23-11-4-12-24-41;1-24-14-16-26(3)32(19-24)35-23-36(33-20-25(2)15-17-27(33)4)40-37(39-35)31-12-8-10-29(22-31)28-9-7-11-30(21-28)34-13-5-6-18-38-34;1-2-9-24(10-3-1)29-21-30(23-31(22-29)33-16-8-18-35-33)27-13-6-11-25(19-27)26-12-7-14-28(20-26)32-15-4-5-17-34-32;;;;/h1-33,35-49H;1-27,29-37H;5-10,12-23H,1-4H3;1-13,15-23H;;;;/q4*-1
• InChIKey: WILNCFYKCBDRKM-UHFFFAOYSA-N
• XLogP: 51.19
• TPSA: 128.90 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3432.25
LogP ≤ 5	51.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine (CID 159574513) is 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine is Cc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)nc(-c3cccc(-c4cc[c-]c(-c5ccccn5)c4)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccs4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1-c1ccccn1.

What is the InChIKey of 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is WILNCFYKCBDRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N.C55H36N5.C37H30N3.C33H22NS.4Ir/c1-5-19-50(20-6-1)62-41-63(51-21-7-2-8-22-51)44-66(43-62)57-30-16-32-59(38-57)69-47-68(56-29-15-27-54(37-56)55-28-18-34-61(40-55)71-35-13-14-36-72-71)48-70(49-69)60-33-17-31-58(39-60)67-45-64(52-23-9-3-10-24-52)42-65(46-67)53-25-11-4-12-26-53;1-5-17-38(18-6-1)50-36-51(39-19-7-2-8-20-39)58-54(57-50)47-33-46(44-27-15-25-42(31-44)43-26-16-28-45(32-43)49-29-13-14-30-56-49)34-48(35-47)55-59-52(40-21-9-3-10-22-40)37-53(60-55)41-23-11-4-12-24-41;1-24-14-16-26(3)32(19-24)35-23-36(33-20-25(2)15-17-27(33)4)40-37(39-35)31-12-8-10-29(22-31)28-9-7-11-30(21-28)34-13-5-6-18-38-34;1-2-9-24(10-3-1)29-21-30(23-31(22-29)33-16-8-18-35-33)27-13-6-11-25(19-27)26-12-7-14-28(20-26)32-15-4-5-17-34-32;;;;/h1-33,35-49H;1-27,29-37H;5-10,12-23H,1-4H3;1-13,15-23H;;;;/q4*-1;;;;.

What are the key properties of 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine?

4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 3432.25 g/mol, XLogP of 51.19, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159574513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).