[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium

C58H62IrN4SSi-2 — CID 156658031

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium (PubChem CID 156658031) has the molecular formula C58H62IrN4SSi-2 and a molecular weight of 1072.56 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium.

Molecular Properties

• Compound Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium
• PubChem CID: 156658031
• Molecular Formula: C58H62IrN4SSi-2
• Molecular Weight: 1072.56 g/mol
• Exact Mass: 1072.44
• IUPAC Name: [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium
• SMILES: Cc1ccc2c(c1)sc1c(-c3nc4ccncc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C38H34N3S.C20H28NSi.Ir/c1-22(2)30-19-27(26-10-8-7-9-11-26)20-31(23(3)4)36(30)41-33-21-39-17-16-32(33)40-38(41)29-15-13-25(6)35-28-14-12-24(5)18-34(28)42-37(29)35;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;/h7-14,16-23H,1-6H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2
• InChIKey: QHIHLJYYPKHCNH-MFXDLXTISA-N
• XLogP: 15.77
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.56
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium?

The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium (CID 156658031) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium.

What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium?

The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium is Cc1ccc2c(c1)sc1c(-c3nc4ccncc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium?

The InChIKey is QHIHLJYYPKHCNH-MFXDLXTISA-N. The full InChI is InChI=1S/C38H34N3S.C20H28NSi.Ir/c1-22(2)30-19-27(26-10-8-7-9-11-26)20-31(23(3)4)36(30)41-33-21-39-17-16-32(33)40-38(41)29-15-13-25(6)35-28-14-12-24(5)18-34(28)42-37(29)35;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;/h7-14,16-23H,1-6H3;8-10,12,14H,13H2,1-7H3;/q2*-1;/i;1D3,13D2;.

What are the key properties of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium?

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium has a molecular weight of 1072.56 g/mol, XLogP of 15.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine;iridium is sourced from PubChem (CID 156658031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).