pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)

C199H221F7Ir5N5O10S5-5 — CID 163457672

About pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)

pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium) (PubChem CID 163457672) has the molecular formula C199H221F7Ir5N5O10S5-5 and a molecular weight of 4097.39 g/mol. Its IUPAC name is pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium).

Molecular Properties

• Compound Name: pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)
• PubChem CID: 163457672
• Molecular Formula: C199H221F7Ir5N5O10S5-5
• Molecular Weight: 4097.39 g/mol
• Exact Mass: 4098.36
• IUPAC Name: pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)
• SMILES: CC(C)c1ccc(-c2cc3ccnc(-c4[c-]c5ccccc5cc4)c3s2)c(F)c1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1c(-c2cc(F)cc(F)c2)sc2c(-c3[c-]c4ccccc4cc3)nccc12.Cc1c(F)cccc1-c1cc2ccnc(-c3[c-]c4ccccc4c(C)c3)c2s1.Cc1cc(-c2nccc3cc(-c4c(F)cccc4F)sc23)[c-]c2ccccc12.Cc1ccc(-c2cc3ccnc(-c4[c-]c5ccccc5c(C)c4)c3s2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H19FNS.2C25H17FNS.2C24H14F2NS.5C15H28O2.5Ir/c1-16(2)18-9-10-22(23(27)14-18)24-15-21-11-12-28-25(26(21)29-24)20-8-7-17-5-3-4-6-19(17)13-20;1-15-12-19(13-17-6-3-4-7-20(15)17)24-25-18(10-11-27-24)14-23(28-25)21-8-5-9-22(26)16(21)2;1-15-7-8-21(22(26)11-15)23-14-18-9-10-27-24(25(18)28-23)19-12-16(2)20-6-4-3-5-17(20)13-19;1-14-11-17(12-15-5-2-3-6-18(14)15)23-24-16(9-10-27-23)13-21(28-24)22-19(25)7-4-8-20(22)26;1-14-21-8-9-27-22(17-7-6-15-4-2-3-5-16(15)10-17)24(21)28-23(14)18-11-19(25)13-20(26)12-18;5*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;;/h3-12,14-16H,1-2H3;2*3-12,14H,1-2H3;2-11,13H,1H3;2-9,11-13H,1H3;5*11,16H,7-10H2,1-6H3;;;;;/q5*-1
• InChIKey: YBQRIXCRWDPDED-UHFFFAOYSA-N
• XLogP: 60.10
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 46
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4097.39
LogP ≤ 5	60.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)?

The IUPAC name of pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium) (CID 163457672) is pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium).

What is the SMILES notation for pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)?

The canonical SMILES for pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium) is CC(C)c1ccc(-c2cc3ccnc(-c4[c-]c5ccccc5cc4)c3s2)c(F)c1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1c(-c2cc(F)cc(F)c2)sc2c(-c3[c-]c4ccccc4cc3)nccc12.Cc1c(F)cccc1-c1cc2ccnc(-c3[c-]c4ccccc4c(C)c3)c2s1.Cc1cc(-c2nccc3cc(-c4c(F)cccc4F)sc23)[c-]c2ccccc12.Cc1ccc(-c2cc3ccnc(-c4[c-]c5ccccc5c(C)c4)c3s2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)?

The InChIKey is YBQRIXCRWDPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FNS.2C25H17FNS.2C24H14F2NS.5C15H28O2.5Ir/c1-16(2)18-9-10-22(23(27)14-18)24-15-21-11-12-28-25(26(21)29-24)20-8-7-17-5-3-4-6-19(17)13-20;1-15-12-19(13-17-6-3-4-7-20(15)17)24-25-18(10-11-27-24)14-23(28-25)21-8-5-9-22(26)16(21)2;1-15-7-8-21(22(26)11-15)23-14-18-9-10-27-24(25(18)28-23)19-12-16(2)20-6-4-3-5-17(20)13-19;1-14-11-17(12-15-5-2-3-6-18(14)15)23-24-16(9-10-27-23)13-21(28-24)22-19(25)7-4-8-20(22)26;1-14-21-8-9-27-22(17-7-6-15-4-2-3-5-16(15)10-17)24(21)28-23(14)18-11-19(25)13-20(26)12-18;5*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;;/h3-12,14-16H,1-2H3;2*3-12,14H,1-2H3;2-11,13H,1H3;2-9,11-13H,1H3;5*11,16H,7-10H2,1-6H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium)?

pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium) has a molecular weight of 4097.39 g/mol, XLogP of 60.10, 46 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);2-(2,6-difluorophenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3,5-difluorophenyl)-3-methyl-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(3-fluoro-2-methylphenyl)-7-(4-methyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;2-(2-fluoro-4-propan-2-ylphenyl)-7-(1H-naphthalen-1-id-2-yl)thieno[2,3-c]pyridine;pentakis(iridium) is sourced from PubChem (CID 163457672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).