4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium

C38H39FGeIrN2S-2 — CID 164712605

About 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium

4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 164712605) has the molecular formula C38H39FGeIrN2S-2 and a molecular weight of 844.67 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 164712605
• Molecular Formula: C38H39FGeIrN2S-2
• Molecular Weight: 844.67 g/mol
• Exact Mass: 846.20
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
• SMILES: [2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C20H15FNS.C18H24GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-7-8-16(21)19-15-5-3-4-6-18(15)23-20(14)19;1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;/h3-6,8-12H,1-2H3;7-9,11-13H,1-6H3;/q2*-1;/i12D;3D3,13D
• InChIKey: SWUZYSTXKCQAFQ-GAKNVPTESA-N
• XLogP: 10.70
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	844.67
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium (CID 164712605) is 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium is [2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is SWUZYSTXKCQAFQ-GAKNVPTESA-N. The full InChI is InChI=1S/C20H15FNS.C18H24GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-7-8-16(21)19-15-5-3-4-6-18(15)23-20(14)19;1-13(2)16-11-18(15-9-7-14(3)8-10-15)20-12-17(16)19(4,5)6;/h3-6,8-12H,1-2H3;7-9,11-13H,1-6H3;/q2*-1;/i12D;3D3,13D;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium?

4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 844.67 g/mol, XLogP of 10.70, 6 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)-2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164712605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).