4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

C48H46GeIrN2S-2 — CID 166573542

About 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (PubChem CID 166573542) has the molecular formula C48H46GeIrN2S-2 and a molecular weight of 948.81 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
• PubChem CID: 166573542
• Molecular Formula: C48H46GeIrN2S-2
• Molecular Weight: 948.81 g/mol
• Exact Mass: 950.23
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
• SMILES: Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(-c3c(C)cc(C)cc3C)c3c2sc2ccccc23)c1.[Ir]
• InChI: InChI=1S/C29H26NS.C19H20GeN.Ir/c1-17(2)21-12-13-30-25(16-21)22-10-11-24(27-19(4)14-18(3)15-20(27)5)28-23-8-6-7-9-26(23)31-29(22)28;1-14-11-19(21-13-18(14)20(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;/h6-9,11-17H,1-5H3;5-9,11-13H,1-4H3;/q2*-1;/i17D
• InChIKey: GLHGCRQVCFCTEN-SMYCVDIJSA-N
• XLogP: 13.19
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.81
LogP ≤ 5	13.19
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-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (CID 166573542) is 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is Cc1cc(-c2[c-]cc3ccccc3c2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(-c3c(C)cc(C)cc3C)c3c2sc2ccccc23)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The InChIKey is GLHGCRQVCFCTEN-SMYCVDIJSA-N. The full InChI is InChI=1S/C29H26NS.C19H20GeN.Ir/c1-17(2)21-12-13-30-25(16-21)22-10-11-24(27-19(4)14-18(3)15-20(27)5)28-23-8-6-7-9-26(23)31-29(22)28;1-14-11-19(21-13-18(14)20(2,3)4)17-10-9-15-7-5-6-8-16(15)12-17;/h6-9,11-17H,1-5H3;5-9,11-13H,1-4H3;/q2*-1;/i17D;;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

4-(2-deuteriopropan-2-yl)-2-[1-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane has a molecular weight of 948.81 g/mol, XLogP of 13.19, 5 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-(2,4,6-trimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-methyl-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166573542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).