5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)

C155H174FGe3Ir3N7O2S-6 — CID 163684259

About 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)

5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium) (PubChem CID 163684259) has the molecular formula C155H174FGe3Ir3N7O2S-6 and a molecular weight of 3021.74 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium).

Molecular Properties

• Compound Name: 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)
• PubChem CID: 163684259
• Molecular Formula: C155H174FGe3Ir3N7O2S-6
• Molecular Weight: 3021.74 g/mol
• Exact Mass: 3026.06
• IUPAC Name: 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)
• SMILES: Cc1cc(-c2[c-]cc3sc4cc(-c5c(C)cc(F)cc5C)ccc4c3c2)ncc1CC1CCCC1.Cc1ccc(C)c(-c2ccc3c(c2)oc2c[c-]c(-c4cc(CC5CCCC5)c(C(C)C)cn4)cc23)c1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(-c5c(C)cc(C)nc5C)cc4c3c2)cc1CC(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C35H36NO.C32H29FNS.C31H31N2O.3C19H26GeN.3Ir/c1-21(2)31-20-36-32(18-28(31)16-25-8-6-7-9-25)26-13-15-33-30(17-26)29-14-12-27(19-34(29)37-33)35-23(4)11-10-22(3)24(35)5;1-19-14-29(34-18-25(19)15-22-6-4-5-7-22)23-9-11-30-28(16-23)27-10-8-24(17-31(27)35-30)32-20(2)12-26(33)13-21(32)3;1-18-12-20(3)33-21(4)30(18)23-9-11-29-26(14-23)25-13-22(8-10-28(25)34-29)27-15-24(16-31(5,6)7)19(2)17-32-27;3*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;/h10-12,14-15,17-21,25H,6-9,16H2,1-5H3;8,10-14,16-18,22H,4-7,15H2,1-3H3;9-15,17H,16H2,1-7H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1;;;/i;;2D3;3*13D2
• InChIKey: PORMKLOAAVUKBQ-IGTLUERDSA-N
• XLogP: 41.65
• TPSA: 116.51 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3021.74
LogP ≤ 5	41.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)?

The IUPAC name of 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium) (CID 163684259) is 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium).

What is the SMILES notation for 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)?

The canonical SMILES for 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium) is Cc1cc(-c2[c-]cc3sc4cc(-c5c(C)cc(F)cc5C)ccc4c3c2)ncc1CC1CCCC1.Cc1ccc(C)c(-c2ccc3c(c2)oc2c[c-]c(-c4cc(CC5CCCC5)c(C(C)C)cn4)cc23)c1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc3oc4ccc(-c5c(C)cc(C)nc5C)cc4c3c2)cc1CC(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C(C)(C)C.[Ir].[Ir].[Ir].

What is the InChIKey of 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)?

The InChIKey is PORMKLOAAVUKBQ-IGTLUERDSA-N. The full InChI is InChI=1S/C35H36NO.C32H29FNS.C31H31N2O.3C19H26GeN.3Ir/c1-21(2)31-20-36-32(18-28(31)16-25-8-6-7-9-25)26-13-15-33-30(17-26)29-14-12-27(19-34(29)37-33)35-23(4)11-10-22(3)24(35)5;1-19-14-29(34-18-25(19)15-22-6-4-5-7-22)23-9-11-30-28(16-23)27-10-8-24(17-31(27)35-30)32-20(2)12-26(33)13-21(32)3;1-18-12-20(3)33-21(4)30(18)23-9-11-29-26(14-23)25-13-22(8-10-28(25)34-29)27-15-24(16-31(5,6)7)19(2)17-32-27;3*1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;;;/h10-12,14-15,17-21,25H,6-9,16H2,1-5H3;8,10-14,16-18,22H,4-7,15H2,1-3H3;9-15,17H,16H2,1-7H3;3*7-10,12,14H,13H2,1-6H3;;;/q6*-1;;;/i;;2D3;3*13D2;;;.

What are the key properties of 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium)?

5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium) has a molecular weight of 3021.74 g/mol, XLogP of 41.65, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopentylmethyl)-2-[7-(4-fluoro-2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-methylpyridine;4-(cyclopentylmethyl)-5-propan-2-yl-2-[7-(2,3,6-trimethylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;tris([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane);3-[8-[4-(2,2-dimethylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-7H-dibenzofuran-7-id-2-yl]-2,4,6-trimethylpyridine;tris(iridium) is sourced from PubChem (CID 163684259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).