4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium

C57H58IrN2-2 — CID 164727714

About 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium

4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium (PubChem CID 164727714) has the molecular formula C57H58IrN2-2 and a molecular weight of 974.39 g/mol. Its IUPAC name is 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium.

Molecular Properties

• Compound Name: 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium
• PubChem CID: 164727714
• Molecular Formula: C57H58IrN2-2
• Molecular Weight: 974.39 g/mol
• Exact Mass: 974.49
• IUPAC Name: 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium
• SMILES: [2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4c(c3)C(C)(C)C3(Cc5ccccc5C3)C4(C)C)c2)ncc1C([2H])([2H])C(C)(C)C.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccnc(-c2[c-]cccc2)c1.[Ir]
• InChI: InChI=1S/C38H42N.C19H16N.Ir/c1-25-18-34(39-24-31(25)21-35(2,3)4)28-15-11-14-26(19-28)27-16-17-32-33(20-27)37(7,8)38(36(32,5)6)22-29-12-9-10-13-30(29)23-38;1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;/h9-14,16-20,24H,21-23H2,1-8H3;3-9,11-13H,1-2H3;/q2*-1;/i1D3,21D2;1D3,2D3
• InChIKey: SMCHSQBLXWJWAR-KIZIWJJWSA-N
• XLogP: 14.30
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.39
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium?

The IUPAC name of 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium (CID 164727714) is 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium.

What is the SMILES notation for 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium?

The canonical SMILES for 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium is [2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc4c(c3)C(C)(C)C3(Cc5ccccc5C3)C4(C)C)c2)ncc1C([2H])([2H])C(C)(C)C.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccnc(-c2[c-]cccc2)c1.[Ir].

What is the InChIKey of 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium?

The InChIKey is SMCHSQBLXWJWAR-KIZIWJJWSA-N. The full InChI is InChI=1S/C38H42N.C19H16N.Ir/c1-25-18-34(39-24-31(25)21-35(2,3)4)28-15-11-14-26(19-28)27-16-17-32-33(20-27)37(7,8)38(36(32,5)6)22-29-12-9-10-13-30(29)23-38;1-14-7-6-8-15(2)19(14)17-11-12-20-18(13-17)16-9-4-3-5-10-16;/h9-14,16-20,24H,21-23H2,1-8H3;3-9,11-13H,1-2H3;/q2*-1;/i1D3,21D2;1D3,2D3;.

What are the key properties of 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium?

4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium has a molecular weight of 974.39 g/mol, XLogP of 14.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,6-bis(trideuteriomethyl)phenyl]-2-phenylpyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-(1',1',3',3'-tetramethylspiro[1,3-dihydroindene-2,2'-indene]-5'-yl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium is sourced from PubChem (CID 164727714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).