4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline

C147H146Ir3N6-6 — CID 159767681

About 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline (PubChem CID 159767681) has the molecular formula C147H146Ir3N6-6 and a molecular weight of 2602.65 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline.

Molecular Properties

• Compound Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline
• PubChem CID: 159767681
• Molecular Formula: C147H146Ir3N6-6
• Molecular Weight: 2602.65 g/mol
• Exact Mass: 2603.23
• IUPAC Name: 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(-c3ccccc3)cn2)c2c1-c1ccccc1C2.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(-c3ccccc3)cn2)c2c1-c1ccccc1C2.[2H]C([2H])([2H])c1c[c-]c(-c2cc3c(cn2)C(C)(C)CCC3(C)C)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2Cc2ccccc2-3)cc1C([2H])([2H])C(C)(C)C.[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C30H28N.C26H28N.C24H24N.C20H18N.C17H20N.3Ir/c2*1-20-14-15-25(26-16-22-12-8-9-13-24(22)29(20)26)28-17-23(18-30(2,3)4)27(19-31-28)21-10-6-5-7-11-21;1-18-11-12-20(15-21(18)19-9-7-6-8-10-19)24-16-22-23(17-27-24)26(4,5)14-13-25(22,2)3;1-16-15-25-23(13-18(16)14-24(2,3)4)21-11-7-10-20-19-9-6-5-8-17(19)12-22(20)21;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h2*5-14,17,19H,16,18H2,1-4H3;6-11,15-17H,13-14H2,1-5H3;5-10,13,15H,12,14H2,1-4H3;4-9,11-13H,1-3H3;5-8,10,12H,11H2,1-4H3;;;/q6*-1;;;/i2*1D3,18D2;1D3;1D3,14D2;1D3,3D3;1D3,11D2
• InChIKey: DSPWFPZTDYOENM-GRBFRUJHSA-N
• XLogP: 37.84
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2602.65
LogP ≤ 5	37.84
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-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline?

The IUPAC name of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline (CID 159767681) is 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline.

What is the SMILES notation for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline?

The canonical SMILES for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(-c3ccccc3)cn2)c2c1-c1ccccc1C2.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c(-c3ccccc3)cn2)c2c1-c1ccccc1C2.[2H]C([2H])([2H])c1c[c-]c(-c2cc3c(cn2)C(C)(C)CCC3(C)C)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])C(C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cc(C([2H])([2H])[2H])c(-c3ccccc3)c2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2Cc2ccccc2-3)cc1C([2H])([2H])C(C)(C)C.[Ir].[Ir].[Ir].

What is the InChIKey of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline?

The InChIKey is DSPWFPZTDYOENM-GRBFRUJHSA-N. The full InChI is InChI=1S/2C30H28N.C26H28N.C24H24N.C20H18N.C17H20N.3Ir/c2*1-20-14-15-25(26-16-22-12-8-9-13-24(22)29(20)26)28-17-23(18-30(2,3)4)27(19-31-28)21-10-6-5-7-11-21;1-18-11-12-20(15-21(18)19-9-7-6-8-10-19)24-16-22-23(17-27-24)26(4,5)14-13-25(22,2)3;1-16-15-25-23(13-18(16)14-24(2,3)4)21-11-7-10-20-19-9-6-5-8-17(19)12-22(20)21;1-14-9-10-18(20-11-15(2)16(3)13-21-20)12-19(14)17-7-5-4-6-8-17;1-13-5-8-15(9-6-13)16-10-7-14(12-18-16)11-17(2,3)4;;;/h2*5-14,17,19H,16,18H2,1-4H3;6-11,15-17H,13-14H2,1-5H3;5-10,13,15H,12,14H2,1-4H3;4-9,11-13H,1-3H3;5-8,10,12H,11H2,1-4H3;;;/q6*-1;;;/i2*1D3,18D2;1D3;1D3,14D2;1D3,3D3;1D3,11D2;;;.

What are the key properties of 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline?

4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline has a molecular weight of 2602.65 g/mol, XLogP of 37.84, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2,9-dihydrofluoren-2-id-1-yl)-5-(trideuteriomethyl)pyridine;bis(4-(1,1-dideuterio-2,2-dimethylpropyl)-5-phenyl-2-[4-(trideuteriomethyl)-2,9-dihydrofluoren-2-id-1-yl]pyridine);5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;tris(iridium);4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;5,5,8,8-tetramethyl-3-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-6,7-dihydroisoquinoline is sourced from PubChem (CID 159767681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).