[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium

C54H56IrN2SSi-2 — CID 166574909

About [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium (PubChem CID 166574909) has the molecular formula C54H56IrN2SSi-2 and a molecular weight of 988.44 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium
• PubChem CID: 166574909
• Molecular Formula: C54H56IrN2SSi-2
• Molecular Weight: 988.44 g/mol
• Exact Mass: 988.38
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2sc2c(-c4ccccc4)c(C(C)C)ccc23)c1)C(C)(C)C.[Ir]
• InChI: InChI=1S/C31H30NS.C23H26NSi.Ir/c1-20(2)23-14-15-25-24-12-9-13-26(27-18-21(16-17-32-27)19-31(3,4)5)29(24)33-30(25)28(23)22-10-7-6-8-11-22;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h6-12,14-18,20H,19H2,1-5H3;6-12,14-17H,1-5H3;/q2*-1;/i19D2;17D
• InChIKey: OQBBBBJHHOOZQD-RHSJFNSMSA-N
• XLogP: 15.18
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.44
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium (CID 166574909) is [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium is [2H]C(C)(C)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2sc2c(-c4ccccc4)c(C(C)C)ccc23)c1)C(C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium?

The InChIKey is OQBBBBJHHOOZQD-RHSJFNSMSA-N. The full InChI is InChI=1S/C31H30NS.C23H26NSi.Ir/c1-20(2)23-14-15-25-24-12-9-13-26(27-18-21(16-17-32-27)19-31(3,4)5)29(24)33-30(25)28(23)22-10-7-6-8-11-22;1-17(2)21-15-22(24-16-23(21)25(3,4)5)20-13-9-12-19(14-20)18-10-7-6-8-11-18;/h6-12,14-18,20H,19H2,1-5H3;6-12,14-17H,1-5H3;/q2*-1;/i19D2;17D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium has a molecular weight of 988.44 g/mol, XLogP of 15.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(6-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 166574909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).