2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C39H33IrN5SSi-2 — CID 156669213

About 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156669213) has the molecular formula C39H33IrN5SSi-2 and a molecular weight of 824.10 g/mol. Its IUPAC name is 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156669213
• Molecular Formula: C39H33IrN5SSi-2
• Molecular Weight: 824.10 g/mol
• Exact Mass: 824.19
• IUPAC Name: 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccncc4n3-c3ccccc3)[c-]cc(C)c12.[Ir]
• InChI: InChI=1S/C25H17N4S.C14H16NSi.Ir/c1-15-8-10-19(23-22(15)18-11-9-16(2)27-25(18)30-23)24-28-20-12-13-26-14-21(20)29(24)17-6-4-3-5-7-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-9,11-14H,1-2H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: BJVAQRCGHNIHMD-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 56.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.10
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156669213) is 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)sc1c(-c3nc4ccncc4n3-c3ccccc3)[c-]cc(C)c12.[Ir].

What is the InChIKey of 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is BJVAQRCGHNIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N4S.C14H16NSi.Ir/c1-15-8-10-19(23-22(15)18-11-9-16(2)27-25(18)30-23)24-28-20-12-13-26-14-21(20)29(24)17-6-4-3-5-7-17;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-9,11-14H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 824.10 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-8-(3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156669213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).