4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)

C131H118Ir3N6-6 — CID 159265887

About 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)

4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine) (PubChem CID 159265887) has the molecular formula C131H118Ir3N6-6 and a molecular weight of 2377.22 g/mol. Its IUPAC name is 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)
• PubChem CID: 159265887
• Molecular Formula: C131H118Ir3N6-6
• Molecular Weight: 2377.22 g/mol
• Exact Mass: 2377.98
• IUPAC Name: 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2Cc2ccccc2-3)ncc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(-c3ccccc3)cc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C26H26N.2C25H24N.C19H16N.2C18H14N.3Ir/c1-17-12-13-22(24-14-20-10-6-7-11-21(20)26(17)24)25-15-23(18(2)16-27-25)19-8-4-3-5-9-19;1-17-16-26-25(15-23(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)14-24(21)22;1-17-14-25(26-16-24(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)15-23(21)22;1-14-12-19(20-13-15(14)2)18-10-8-17(9-11-18)16-6-4-3-5-7-16;2*1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;;;/h6-7,10-12,15-16,19H,3-5,8-9,14H2,1-2H3;5-7,10-12,15-16,18H,2-4,8-9,14H2,1H3;5-7,10-12,14,16,18H,2-4,8-9,15H2,1H3;3-10,12-13H,1-2H3;2*2-10,12-13H,1H3;;;/q6*-1;;;/i1D3,2D3,19D;2*1D3,18D;2D3;2*1D3
• InChIKey: YRSIGWVGYJPCCN-CUXQUHFCSA-N
• XLogP: 33.61
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2377.22
LogP ≤ 5	33.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)?

The IUPAC name of 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine) (CID 159265887) is 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine).

What is the SMILES notation for 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)?

The canonical SMILES for 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine) is [2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2Cc2ccccc2-3)ncc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc(-c3ccccc3)cc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(-c3ccccc3)cc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2Cc2ccccc2-3)cc1C1([2H])CCCCC1.[Ir].[Ir].[Ir].

What is the InChIKey of 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)?

The InChIKey is YRSIGWVGYJPCCN-CUXQUHFCSA-N. The full InChI is InChI=1S/C26H26N.2C25H24N.C19H16N.2C18H14N.3Ir/c1-17-12-13-22(24-14-20-10-6-7-11-21(20)26(17)24)25-15-23(18(2)16-27-25)19-8-4-3-5-9-19;1-17-16-26-25(15-23(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)14-24(21)22;1-17-14-25(26-16-24(17)18-8-3-2-4-9-18)22-13-7-12-21-20-11-6-5-10-19(20)15-23(21)22;1-14-12-19(20-13-15(14)2)18-10-8-17(9-11-18)16-6-4-3-5-7-16;2*1-14-7-12-18(19-13-14)17-10-8-16(9-11-17)15-5-3-2-4-6-15;;;/h6-7,10-12,15-16,19H,3-5,8-9,14H2,1-2H3;5-7,10-12,15-16,18H,2-4,8-9,14H2,1H3;5-7,10-12,14,16,18H,2-4,8-9,15H2,1H3;3-10,12-13H,1-2H3;2*2-10,12-13H,1H3;;;/q6*-1;;;/i1D3,2D3,19D;2*1D3,18D;2D3;2*1D3;;;.

What are the key properties of 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)?

4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine) has a molecular weight of 2377.22 g/mol, XLogP of 33.61, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;5-(1-deuteriocyclohexyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-4-(trideuteriomethyl)pyridine;4-(1-deuteriocyclohexyl)-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine;tris(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 159265887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).